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DR ANTHONY MELVIN CRASTO Ph.D ( ICT, Mumbai) , INDIA 36Yrs Exp. in the feld of Organic Chemistry,Working for AFRICURE PHARMA as ADVISOR earlier with GLENMARK PHARMA at Navi Mumbai, INDIA. Serving chemists around the world. Helping them with websites on Chemistry.Million hits on google, NO ADVERTISEMENTS , ACADEMIC , NON COMMERCIAL SITE, world acclamation from industry, academia, drug authorities for websites, blogs and educational contribution, ........amcrasto@gmail.com..........+91 9323115463, Skype amcrasto64 View Anthony Melvin Crasto Ph.D's profile on LinkedIn Anthony Melvin Crasto Dr.

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DR ANTHONY MELVIN CRASTO Ph.D

DR ANTHONY MELVIN CRASTO Ph.D

DR ANTHONY MELVIN CRASTO, Born in Mumbai in 1964 and graduated from Mumbai University, Completed his Ph.D from ICT, 1991,Matunga, Mumbai, India, in Organic Chemistry, The thesis topic was Synthesis of Novel Pyrethroid Analogues, Currently he is working with AFRICURE PHARMA, ROW2TECH, NIPER-G, Department of Pharmaceuticals, Ministry of Chemicals and Fertilizers, Govt. of India as ADVISOR, earlier assignment was with GLENMARK LIFE SCIENCES LTD, as CONSUlTANT, Retired from GLENMARK in Jan2022 Research Centre as Principal Scientist, Process Research (bulk actives) at Mahape, Navi Mumbai, India. Total Industry exp 32 plus yrs, Prior to joining Glenmark, he has worked with major multinationals like Hoechst Marion Roussel, now Sanofi, Searle India Ltd, now RPG lifesciences, etc. He has worked with notable scientists like Dr K Nagarajan, Dr Ralph Stapel, Prof S Seshadri, etc, He did custom synthesis for major multinationals in his career like BASF, Novartis, Sanofi, etc., He has worked in Discovery, Natural products, Bulk drugs, Generics, Intermediates, Fine chemicals, Neutraceuticals, GMP, Scaleups, etc, he is now helping millions, has 9 million plus hits on Google on all Organic chemistry websites. His friends call him Open superstar worlddrugtracker. His New Drug Approvals, Green Chemistry International, All about drugs, Eurekamoments, Organic spectroscopy international, etc in organic chemistry are some most read blogs He has hands on experience in initiation and developing novel routes for drug molecules and implementation them on commercial scale over a 32 PLUS year tenure till date Feb 2023, Around 35 plus products in his career. He has good knowledge of IPM, GMP, Regulatory aspects, he has several International patents published worldwide . He has good proficiency in Technology transfer, Spectroscopy, Stereochemistry, Synthesis, Polymorphism etc., He suffered a paralytic stroke/ Acute Transverse mylitis in Dec 2007 and is 90 %Paralysed, He is bound to a wheelchair, this seems to have injected feul in him to help chemists all around the world, he is more active than before and is pushing boundaries, He has 100 million plus hits on Google, 2.5 lakh plus connections on all networking sites, 100 Lakh plus views on dozen plus blogs, 227 countries, 7 continents, He makes himself available to all, contact him on +91 9323115463, email amcrasto@gmail.com, Twitter, @amcrasto , He lives and will die for his family, 90% paralysis cannot kill his soul., Notably he has 38 lakh plus views on New Drug Approvals Blog in 227 countries......https://newdrugapprovals.wordpress.com/ , He appreciates the help he gets from one and all, Friends, Family, Glenmark, Readers, Wellwishers, Doctors, Drug authorities, His Contacts, Physiotherapist, etc He has total of 32 International and Indian awards

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Recent Posts

Sumecigrel, Vicagrel

December 6, 2025 3:05 am / Leave a comment


Sumecigrel, VICAGREL

CAS 1314081-53-2

MF C18H18ClNO4S MW379.858

  • (S)-2-(2-ACETOXY-6,7-DIHYDROTHIENO(3,2-C)PYRIDINE-5(4H)-YL)-2-(2-CHLOROPHENYL)ACETIC ACID METHYL ESTER
  • METHYL (.ALPHA.S)-2-(ACETYLOXY)-.ALPHA.-(2-CHLOROPHENYL)-6,7-DIHYDROTHIENO(3,2-C)PYRIDINE-5(4H)-ACETATE
  • METHYL (2S)-2-(2-ACETYLOXY-6,7-DIHYDRO-4H-THIENO(3,2-C)PYRIDIN-5-YL)-2-(2-CHLOROPHENYL)ACETATE
  • METHYL (S)-(2-(ACETYLOXY)-6,7-DIHYDROTHIENO(3,2-C)PYRIDIN-5(4H)-YL)(2-CHLOROPHENYL)ACETATE
  • THIENO(3,2-C)PYRIDINE-5(4H)-ACETIC ACID, 2-(ACETYLOXY)-.ALPHA.-(2-CHLOROPHENYL)-6,7-DIHYDRO-, METHYL ESTER, (.ALPHA.S)-
  • VICAGREL

methyl (S)-2-(acetyloxy)-6,7-dihydrothieno[3,2- c]pyridin-5(4H)-ylacetate
platelet aggregation inhibitor,  8A63K3TN0U, VICAGREL

  • Pharmacokinetic/Pharmacodynamic Study of Vicagrel Capsules and Clopidogrel Tablets in Healthy CYP2C19 Normal MetabolizersCTID: NCT07067775Phase: Phase 1Status: CompletedDate: 2025-09-09
  • Efficacy and Safety Study of Vicagrel in Patients With Acute Coronary Syndrome (ACS) Undergoing Percutaneous Coronary Intervention (PCI)CTID: NCT06577519Phase: Phase 3Status: RecruitingDate: 2024-10-01
  • PK/PD Study of Vicagrel and Clopidogrel in Healthy Subjects With Different CYP2C19 MetabolizersCTID: NCT05162053Phase: Phase 1Status: CompletedDate: 2023-11-03
  • A Clinical Trial to Evaluate the Effect of Food on PK and PD of Vicagrel Capsules in Healthy Adult SubjectsCTID: NCT04919551Phase: Phase 1Status: CompletedDate: 2021-11-01
  • The Efficacy, Safety and Pharmacokinetic of Antiplatelet Therapy for VicagrelCTID: NCT03599284Phase: Phase 2Status: CompletedDate: 2019-09-23
  • Pharmacokinetics and Pharmacodynamics of Vicagrel in Healthy Adult Subjects of Different CYP2C19
  • CTID: NCT03942458
  • Phase: Phase 1
  • Status: Completed
  • Date: 2019-09-19

Sumecigrel (also known as

vicagrel) is an investigational small molecule drug classified as a P2Y12 inhibitor and antiplatelet agent. It is currently under clinical development for the treatment of various cardiovascular and peripheral conditions. 

Key Information 

  • Therapeutic Class: Antiplatelet agent; P2Y12 inhibitor. These types of drugs work by preventing platelets in the blood from sticking together and forming clots, which is a key process in conditions like heart attack and stroke.
  • Developer: Jiangsu Vcare PharmaTech.
  • Clinical Status: It is currently in the pre-registration phase for acute coronary syndrome (ACS). It has also been under investigation for ischemic stroke and peripheral arterial disease.
  • Synonyms: The drug is also widely referred to by its USAN (United States Adopted Name) and INN (International Nonproprietary Name) designation, vicagrel. 

Chemical Details 

  • Formula: C18H18ClNO4SC sub 18 H sub 18 ClNO sub 4 SC18H18ClNO4S.
  • CAS Number: 1314081-53-2.
  • UNII: 8A63K3TN0U. 

For more detailed information regarding its regulatory status, you can check the official precisionFDA or PubChem databases. 

SYN

WO-2011095049

SYN

https://patentscope.wipo.int/search/en/detail.jsf?docId=CN85433897&_cid=P22-MITPA1-71386-1

SYN

https://patentscope.wipo.int/search/en/detail.jsf?docId=EP75374721&_cid=P22-MITPA1-71386-1

Example 3

(2S)-Methyl 2-(2-oxo-7,7a-dihydrothieno[3,2-c]pyridin-5(2H,4H,6H)-yl)-2-(2-chlorophenyl)-acetate (IV-1)

[0036]  58.1 g (0.15 mol) of (R)-methyl 2-(2-chlorophenyl)-2-(4-nitrophenylsulfonyloxy)-acetate ( II-1), 32.3 g (0.17 mol) of 5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one hydrochloride ( III-1), and 37.8g (0.38 mol) of potassium bicarbonate were added to 500 ml of acetonitrile. The reaction was stirred under a nitrogen atmosphere at room temperature for 26 hrs. The reaction solution was allowed to stand and the insoluble material was filtered off, to obtain a dark red mother liquor. The solvent was evaporated under reduced pressure, and 35.4 g of an oil product was obtained after purification by flash column chromatography (petroleum ether:ethyl acetate = 4:1). Yield 70%. Recrystalization from ethanol afforded 18.1 g of a pure product (IV-1) as a white solid. mp: 146-148°C, ee = 97.5%, [α] D 19 = +114.0° (c 0.5, MeOH); 1H-NMR (300 MHz, CDCl 3) δ 1.79-1.93 (m, 1 H), 2.30-2.40 (m, 1 H), 2.56-2.70 (m, 1 H), 3.00-3.27 (m, 2 H), 3.72 (s, 3 H), 3.79-3.93 (m, 1 H), 4.12-4.19 (m, 1 H), 4.89 (d, 1 H, J= 5.6 Hz), 6.00 (d, 1 H, J = 5.2 Hz), 7.26-7.50 (m, 4 H); 13C-NMR (75 MHz, CDCl 3) δ 33.9, 34.0, 49.0, 49.7, 51.1, 51.6, 52.2, 52.4, 67.3, 76.6, 77.0, 77.4, 126.6, 126.8, 127.2, 129.8, 130.1, 132.7, 134.8, 167.2, 167.4, 170.8, 198.6; ESI-MS m/ z 338.1 [M+H] +; HRMS Calcd for C 16H 17NO 3SCl [M+H] + m/ z 338.0618, found 338.0626.

Reference Example 4

(S)-Methyl 2-(2-benzoyloxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)-acetate (I-1)

[0038]  (2S)-Methyl 2-(2-chlorophenyl)-2-(2-oxo-5,6,7,7a-tetrahydrothieno[3,2-c]pyridinyl)acetate ( IV– 1) (113 mg) was dissolved in acetonitrile (10 ml), 0.10 ml of triethylamine was added, and 151 mg of benzoic anhydride was added dropwise at 0°C, and then the mixture was warmed to room temperature and reacted for 2 hrs. The reaction solution was poured into water (30 ml), the aqueous phase was extracted with ethyl acetate (50 ml x 3), and the organic phase was washed with saturated aqueous sodium bicarbonate solution and saturated saline, dried over anhydrous sodium sulfate, and evaporated, to obtain a crude product, which was subjected to flash column chromatography (petroleum ether:ethyl acetate = 40 : 3), to obtain (S)-methyl 2-(2-benzoyloxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)-acetate (I-1) (77 mg). Yield 52%, mp: 84-86°C, ee = 93.5% (chiral HPLC analysis conditions: Chiralpak IC 4.6 mm x 250 mm; column temperature: 25° C; mobile phase: 90% n-hexane/10% isopropanol/0.1% diethylamine; flow rate: 0.5 ml/min; and detection wavelength: UV 254 nm), [α] D20 = +34.00° (c 0.50, MeOH); 1H-NMR (300 MHz, CDCl 3) δ 2.82-2.93 (m, 4 H), 3.57-3.68 (m, 2 H), 3.73 (s, 3 H), 4.95 (s, 1 H), 6.42 (s, 1 H), 7.26-8.17 (m, 9 H); 13C-NMR (75 MHz CDCl 3) δ 25.0, 48.2, 50.4, 52.2, 67.8, 112.1, 125.9, 127.2, 128.5, 128.6, 129.5, 129.8, 130.0, 130.2, 133.9, 134,7, 149.9, 163.5; ESI-MS m/ z 442.1 [M+H] +; HRMS Calcd for C 23H 21NO 4SCl [M+H] +m/ z 442.0891, found 442.0880.

Example 5

(S)-Methyl 2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)-acetate (I-2)

[0040]  Following the method described in Example 4, (2S)-methyl 2-(2-chlorophenyl)-2-(2-oxo-5, 6, 7, 7a-tetrahydrothieno[3,2-c]pyridinyl)acetate (IV-1) (6.5 g) was reacted with acetic anhydride (3.6 ml), to prepare (S)-methyl 2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)-acetate ( I-2) (6.8 g). Yield 93%. Recrystallization from ethanol afforded a white solid, mp: 73-75°C, ee = 98.9% (chiral HPLC analysis conditions: Chiralpak IC 4.6 mm x 250 mm; column temperature: 25°C; mobile phase: 92% n-hexane/8% tetrahydrofuran/0.1% diethylamine; flow rate: 0.5 ml/min; and detection wavelength: UV 254 nm), [α] D23 = +45.00°(c = 1.0, CH 3OH); 1H-NMR (300 MHz, CDCl 3) δ 2.26 (s, 3 H), 2.65-2.90 (m, 4 H), 3.47-3.69 (m, 2 H), 3.72 (s, 3 H), 4.92 (s, 1 H), 6.26 (s, 1 H), 7.24-7.70 (m, 4 H); 13C-NMR (75 MHz, CDCl 3) δ 20.2, 24.5, 47.6, 49.8, 51.6, 67.3, 111.5, 125.3, 126.6, 128.8, 128.9, 129.3, 129.4, 133.3, 134.2, 149.1, 167.2, 170.7; ESI-MS m/ z 380.0 [M+H] +; HRMS Calcd for C 18H 19NO 4SCl [M+H] +m/ z 380.0723, found 380.0737.

Reference Example 6

(R)-Methyl 2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)-acetate (I-2′)

[0042]  Following the method described in Example 4, (2R)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7,7a-dihydrothieno[3.2-c]pyridin-5(2H,4H,6H)-yl)-acetate ( IV-1′) (prepared following Examples 1-3) was reacted with acetic anhydride, to prepare (R)-methyl 2-(2-acetoxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)-acetate ( I-2′), ee = 98.2% (chiral HPLC analysis conditions were the same as those in Example 5), [α] D 23 =-44.00° (c= 1.0, CH 3OH).

Reference Example 7

(S)-Methyl 2-(2-propanoyloxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)-acetate (I-3)

[0043]  Following the method described in Example 4, (2S)-methyl 2-(2-chlorophenyl)-2-(2-oxo-7, 7a-dihydrothieno[3.2-c]pyridin-5(2H, 4H,6H)-yl)-acetate ( IV-1) (338 mg) was reacted with propionic anhydride (0.27 ml), to prepare (S)-methyl 2-(2-propanoyloxy-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-2-(2-chlorophenyl)-acetate ( I-3) (267 mg).Yield 66%, ee = 96.5% (chiral HPLC analysis conditions were the same as those in Example 4), [α] D20 = + 36.00°( c 0.50, MeOH); 1H-NMR (300 MHz, CDCl 3) δ 1.23 (t, 3 H, J = 7.4 Hz), 2.55 (q, 2 H, J= 7.7 Hz), 2.76-2.78 (m, 2 H), 2.87-2.88 (m, 2 H), 3.53 (d, 1 H, J = 14.2 Hz), 3.65 (d, 1 H, J = 13.6 Hz), 3.72 (s, 3 H), 4.91 (s, 1 H), 6.26 (s, 1 H), 7.26-7.69 (m, 4 H); 13C-NMR (75 MHz, CDCl 3) δ 8.8, 21.1, 25.0, 27.4, 48.2, 50.3, 52.2, 67.8, 106.2, 111.7, 125.6, 127.2, 129.1, 129.5, 129.8, 130.0, 123.7, 149.8, 171.2; ESI-MS m/ z 394.1 [M+H] +; HRMS Calcd for C 19H 21NO 4SCl [M+H] +m/ z 394.0883, found 394.0880.

PAT

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///////////Sumecigrel, platelet aggregation inhibitor,  8A63K3TN0U, VICAGREL

Soquelitinib

December 5, 2025 8:51 am / Leave a comment


Soquelitinib

CAS 2226636-04-8

MF C25H30N4O4S2, 514.7 g/mol

N-[5-({4-methoxy-2-methyl-5-[(3R)-3-methyl-4-(prop-2-enoyl)-1,4-diazepane-1-carbonyl]phenyl}sulfanyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
tyrosine kinase inhibitor, antineoplastic, CPI818, CPI-000818, CPI596, CP I818, CPI 000818, CP I596, 6I5H17AN3I,

N-[5-[4-methoxy-2-methyl-5-[(3R)-3-methyl-4-prop-2-enoyl-1,4-diazepane-1-carbonyl]phenyl]sulfanyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

Soquelitinib (CPI-818) is an experimental drug which acts as a selective inhibitor of the enzyme interleukin-2-inducible T-cell kinase (ITK). It is in clinical trials for the treatment of T-cell lymphoma.[1][2]

Soquelitinib is an orally available, small-molecule, irreversible inhibitor of interleukin-2 inducible T-cell kinase (ITK) with potential immunomodulatory and antineoplastic activities. Upon oral administration, soquelitinib selectively and covalently binds to the cysteine residue at position 442 (CYS-442) of ITK, thereby disrupting ITK-mediated signal transduction, while sparing tyrosine-protein kinase TXK (resting lymphocyte kinase, RLK) activity. This may abrogate T-cell receptor (TCR) signaling through ITK and inhibit TCR-induced proliferation of malignant T-cells. Additionally, inhibiting ITK activation may prevent the upregulation of GATA-3, a transcription factor that drives T-helper 2 (Th2) cell differentiation and is overexpressed in certain T-cell lymphomas. Thus, selective inhibition of ITK may inhibit Th2 responses without affecting T-helper 1 (Th1)-dependent immunity. ITK, a member of the Tec family of non-receptor protein tyrosine kinases plays a significant role in the T-cell development, differentiation and production of pro-inflammatory cytokines.

  • Safety, Tolerability, and Preliminary Efficacy of Soquelitinib in Participants With Moderate to Severe ADCTID: NCT06345404Phase: Phase 1Status: RecruitingDate: 2025-07-22
  • Study of the ITK Inhibitor Soquelitinib to Reduce Lymphoproliferation and Improve Cytopenias in Autoimmune Lymphoproliferative Syndrome (ALPS)-FAS PatientsCTID: NCT06730126Phase: Phase 2Status: RecruitingDate: 2025-05-31
  • Soquelitinib vs Standard of Care in Participants With Relapsed/Refractory Peripheral T-cell Lymphoma Not Otherwise Specified, Follicular Helper T-cell Lymphomas, or Systemic Anaplastic Large-cell LymphomaCTID: NCT06561048Phase: Phase 3Status: RecruitingDate: 2025-04-17
  • A Dose Escalation Study Evaluating CPI-818 in Relapsed/Refractory T-Cell LymphomaCTID: NCT03952078Phase: Phase 1Status: Active, not recruitingDate: 2025-04-16

Syn

Syn

SYN

WO-2023196278-A1

Embodiment B23. A method for an Th2/ITK-mediated disease in a patient in need thereof, the method comprising administering to the patient about 250 mg to about 1,000 mg per day of a compound of Formula (A) or a pharmaceutically acceptable salt thereof, wherein the compound of Formula (A) is:

REF

https://www.nature.com/articles/s44386-024-00002-1

Pat

str1

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References

  1.  Khodadoust MS, Feldman TA, Yoon DH, Yannakou CK, Radeski D, Kim YH, et al. (November 2020). “Cpi-818, an oral interleukin-2-inducible T-cell kinase inhibitor, is well-tolerated and active in patients with T-cell lymphoma”. Blood. 136: 19–20. doi:10.1182/blood-2020-137782.
  2.  Hsu LY, Rosenbaum JT, Verner E, Jones WB, Hill CM, Janc JW, et al. (December 2024). “Synthesis and characterization of soquelitinib a selective ITK inhibitor that modulates tumor immunity”. npj Drug Discovery. 1 (1) 2: 1–4. doi:10.1038/s44386-024-00002-1.
Identifiers
IUPAC name
CAS Number2226636-04-8
PubChem CID134517711
DrugBankDB18749
ChemSpider129629996
UNII6I5H17AN3I
KEGGD12762
Chemical and physical data
FormulaC25H30N4O4S2
Molar mass514.66 g·mol−1
3D model (JSmol)Interactive image
SMILES
InChI

//////////////Soquelitinib, tyrosine kinase inhibitor, antineoplastic, CPI818, CPI-000818, CPI596, CP I818, CPI 000818, CP I596, 6I5H17AN3I,

Sitokiren

December 4, 2025 8:26 am / Leave a comment


Sitokiren

CAS 1399849-02-5,

MF C22H32N6O4, 444.5 g/mol

methyl N-[3-[3-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-6-methylpyrazolo[5,4-b]pyridin-1-yl]propyl]carbamate

methyl [3-(3-{(1R)-1-[(2R)-N-cyclopropylmorpholine-2-carboxamido]ethyl}-6-methyl-1H-pyrazolo[3,4-
b]pyridin-1-yl)propyl]carbamate
renin inhibitor, SPH 3127, C2M78A9V6Z

Sitokiren, also known as SPH3127, isa highly potent, orally active direct renin inhibitor developed by Mitsubishi Tanabe Pharma Corp. that was initially investigated for hypertension and cardiovascular diseases. Recent research has shown it also has a strong anti-inflammatory effect, particularly in the gut, making it a potential candidate for treating conditions like inflammatory bowel disease (IBD). 

What it is 

  • Direct renin inhibitor: Sitokiren directly inhibits the enzyme renin, which is the rate-limiting step in the renin-angiotensin-aldosterone system (RAAS).
  • Chemical properties: It is a small molecule with the chemical formula C22H32N6O4
  • Developed by: Mitsubishi Tanabe Pharma Corp..
  • Alternative name: SPH3127 is another name for sitokiren. 

How it works 

  • Blocks the RAAS: By inhibiting renin, it prevents the RAAS from over-activating.
  • Potential benefits: This inhibition may help in managing blood pressure and has also shown promise in suppressing inflammation in the gut, which is a key factor in IBD. 

Current research and potential applications 

  • Hypertension: Sitokiren was initially developed for its potential to treat hypertension, and preclinical models have shown it to be more potent than the approved drug aliskiren.
  • Inflammatory bowel disease (IBD): Studies using sitokiren in mouse models have demonstrated its ability to reduce inflammation and protect against damage in colitis, suggesting it could be a novel therapeutic for IBD. 

SPH-3127 is under investigation in clinical trial NCT05359068 (Study to Evaluate the Efficacy and Safety of SPH3127 in Patients With Mild-moderate Essential Hypertension).

SPH3127 is a small-molecule renin inhibitor developed by Shanghai Pharmaceuticals for hypertension and kidney disease. It is believed to be more potent than aliskiren.[1][2][3]

SYN

https://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.2c00834

Methyl N-[3-(3-{(1S)-1-[cyclopropyl-((2R)-morpholine-2-carbonyl)amino]ethyl}-6-methyl
pyrazolo[3,4-b]pyridin-1-yl)propyl]carbamate (18-diastereomer). This isomer was separated
from a mixture of the corresponding diastereomers using NH-silica gel column chromatography
as the more polar isomer. 1H NMR (400 MHz, DMSO-d6) : 0.20 (m, 1H), 0.51−0.74 (m, 3H),
1.70 (d, J = 7.0 Hz, 3H), 1.94 (m, 2H), 2.57 (s, 3H), 2.60−2.75 (m, 3H), 2.79 (m, 1H), 2.87 (dd,J = 2.4, 12.5 Hz, 1H), 3.00 (m, 2H), 3.47 (m, 1H), 3.51 (s, 3H), 3.79 (d, J = 10.9 Hz, 1H),
4.30−4.46 (m, 2H), 4.66 (dd, J = 2.1, 9.4 Hz, 1H), 5.84 (q, J = 7.0 Hz, 1H), 7.02 (d, J = 8.2 Hz,
1H), 7.16 (m, 1H), 7.83 (d, J = 8.2 Hz, 1H). MS (APCI) m/z: 445.1 [M + H]+. Purity and
diastereomeric excess measured by chiral HPLC: 98.37%, 81.23% de (column: Chiralpak IC (4.6
mm × 250 mm, elution: hexane/EtOH/diethylamine, 50:50:0.1 (v/v), flow rate: 0.5 mL/min,
column temperature: 25 °C, retention time: 29.40 min).

SYN

https://patentscope.wipo.int/search/en/detail.jsf;jsessionid=1B9584CB9AC69299BCC760DE78F64E8B.wapp1nC?docId=US411173755&_cid=P12-MIR5W7-75170-1

SYN

WO-2022048618-A1

SYN

WO-2022047730-A1

https://patentscope.wipo.int/search/en/detail.jsf?docId=WO2022047730&_cid=P12-MIR63I-81994-1

PAT

Nitrogen-containing saturated heterocyclic compound

Publication Number: US-9278944-B2

Priority Date: 2011-03-16

Grant Date: 2016-03-08

https://patentscope.wipo.int/search/en/detail.jsf?docId=US95781978&_cid=P12-MIR64F-82901-1

PAT

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References

  1.  Iijima, Daisuke; Sugama, Hiroshi; Takahashi, Yoichi; Hirai, Miki; Togashi, Yuko; Xie, Jianshu; Shen, Jingkang; Ke, Ying; Akatsuka, Hidenori; Kawaguchi, Takayuki; Takedomi, Kei; Kashima, Akiko; Nishio, Masashi; Inui, Yosuke; Yoneda, Hikaru; Xia, Guangxin; Iijima, Toru (25 August 2022). “Discovery of SPH3127: A Novel, Highly Potent, and Orally Active Direct Renin Inhibitor”. Journal of Medicinal Chemistry. 65 (16): 10882–10897. doi:10.1021/acs.jmedchem.2c00834. PMID 35939295. S2CID 251400126.
  2.  Zhang, Leduo; Mao, Yu; Gao, Zhiwei; Chen, Xiaoyan; Li, Xin; Liu, Yanjun; Xia, Guangxin (February 2020). “The Nonclinical Pharmacokinetics and Prediction of Human Pharmacokinetics of SPH3127, a Novel Direct Renin Inhibitor”. European Journal of Drug Metabolism and Pharmacokinetics. 45 (1): 15–26. doi:10.1007/s13318-019-00573-9. PMID 31494843. S2CID 201848935.
  3.  Jing, Shan; Xu, Ranchi; Yang, Kexu; Liu, Wenfang; Zhang, Leduo; Ke, Ying; Xia, Guangxin; Lin, Yang (April 2021). “Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of SPH3127: A Phase I, Randomized, Double-Blind, Placebo-Controlled Trial”. Clinical Therapeutics. 43 (4): 735.e1–735.e14. doi:10.1016/j.clinthera.2021.01.025. PMID 33653620. S2CID 232104329.
Legal status
Legal statusInvestigational
Identifiers
IUPAC name
CAS Number1399849-02-5
PubChem CID117877477
ChemSpider76799450
UNIIC2M78A9V6Z
ChEMBLChEMBL4110551
Chemical and physical data
FormulaC22H32N6O4
Molar mass444.536 g·mol−1
3D model (JSmol)Interactive image
SMILES
InChI

////Sitokiren, renin inhibitor, SPH 3127, C2M78A9V6Z

Setidegrasib

December 3, 2025 10:09 am / Leave a comment


Setidegrasib

CAS 2821793-99-9

MF C60H65FN12O7S MW1117.30

(2S,4R)-1-[(2S)-2-[4-[4-[[6-cyclopropyl-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-7-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-(oxan-4-yloxy)quinazolin-8-yl]oxymethyl]phenyl]triazol-1-yl]-3-methylbutanoyl]-4-hydroxy-N-[(1R)-2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Kirsten rat sarcoma viral oncogene homologue (KRAS) degradation
inducer, antineoplastic, ASP-3082, ASP 3082, 3NQ4ME292X, KRAS G12D inhibitor 17

Setidegrasib (KRAS G12D inhibitor 17, ASP3082) is a PROTAC KRAS degrader (DC50: 37 nM). Setidegrasib induces the degradation of G12D-mutation KRAS protein. Setidegrasib suppresses p-ERK, p-AKT, p-S6 levels in AsPC-1 cells. Setidegrasib exhibits anti-tumor activity in various cancer xenograft models in mice. Setidegrasib can be used for the study of KRAS(G12D)-mutated solid tumors. (Blue: VHL ligase ligand (HY-168699); Black: linker (HY-168698); Pink: G12D ligand (HY-168700)).


Setidegrasib is a small molecule drug. The usage of the INN stem ‘-rasib’ in the name indicates that Setidegrasib is a Ras protein inhibitor. Setidegrasib has a monoisotopic molecular weight of 1116.48 Da.

SYN

https://patentscope.wipo.int/search/en/detail.jsf?docId=WO2022173032&_cid=P21-MIPU3D-50779-1

PAT

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////////Setidegrasib, antineoplastic, ASP-3082, ASP 3082, 3NQ4ME292X, KRAS G12D inhibitor 17

Sendegobresib

December 2, 2025 2:59 am / Leave a comment


Sendegobresib

CAS 2704617-96-7

MFC37H45F3N6O5, 710.79

2,6-PIPERIDINEDIONE, 3-((4-(4-((4S)-1-((4-(1,6-DIHYDRO-1,4,5-TRIMETHYL-6-OXO-3-PYRIDINYL)-2,6-DIMETHOXYPHENYL)METHYL)-3,3-DIFLUORO-4-PIPERIDINYL)-1-PIPERAZINYL)-3-FLUOROPHENYL)AMINO)-, (3S)-

(3S)-3-[4-[4-[(4S)-1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]-3,3-difluoropiperidin-4-yl]piperazin-1-yl]-3-fluoroanilino]piperidine-2,6-dione

bromodomain-containing protein 9 (BRD9) degradation inducer, antineoplastic, AW8PEP3VZ3, CFT 8634, ORPHAN DRUG

Sendegobresib is an orally bioavailable heterobifunctional protein degrader of bromodomain-containing protein 9 (BRD9; sarcoma antigen NY-SAR-29; rhabdomyosarcoma antigen MU-RMS-40.8), with potential antineoplastic activity. Sendegobresib is comprised of an E3 ligase-binding moiety and a BRD9-binding moiety. Upon oral administration, sendegobresib targets and binds to BRD9 with its BRD9-binding moiety. Upon BRD9 binding, the E3 ligase-binding moiety binds to cereblon (CRBN), a component of the CRL4-CRBN E3 ubiquitin ligase complex, which directs proteins for destruction, resulting in the proteasome-mediated degradation of BRD9. This leads to an inhibition of the growth of tumor cells that rely on BRD9 for survival. BRD9, a component of one form of the Brg/Brahma-Associated Factor (BAF) complex, is needed for the survival of certain cancer cells due to mutations.

A Study to Assess the Safety and Tolerability of CFT8634 in Locally Advanced or Metastatic SMARCB1-Perturbed Cancers, Including Synovial Sarcoma and SMARCB1-Null Tumors

CTID: NCT05355753

Phase: Phase 1

Status: Terminated

Date: 2024-12-17

PAT

https://patentscope.wipo.int/search/en/detail.jsf?docId=US355912448&_cid=P11-MINYJY-62955-1

Synthesis of Compound 172

Step-1: To a stirred solution of compound tert-butyl piperazine-1-carboxylate (85.40 g, 536.82 mmol) in DMF (500 mL) was added cesium carbonate (262.4 g, 805.4 mmol) and stirred for 15 min before adding 1,2-difluoro-4-nitro-benzene (100 g, 536.82 mmol). The reaction mixture stirred at RT for 16 h while monitoring by TLC. After completion, the reaction mass was quenched with ice flakes and the precipitated solid was filtered, dried under vacuum to afford tert-butyl 4-(2-fluoro-4-nitro-phenyl) piperazine-1-carboxylate 172-3 (152 g, 88.85% yield, 97.94% purity) as a yellow solid.
      Step-2: To a stirred solution of tert-butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate 172-3 (50.0 g, 153.69 mmol) in 20 ml dioxane was added 4M dioxane HCl (30 ml) and reaction mixture stirred for 2 h at RT while monitoring by TLC. The solvent was evaporated to dryness under reduced pressure and crude solid was triturated with diethyl ether (75 ml) and n-pentane (100 ml) to afford HCl salt of 1-(2-fluoro-4-nitrophenyl) piperazine 172-4 (36.0 g, 136.2 mmol, 88.62% yield, 99% purity). LCMS (ES +): m/z 226.10 [M+H] +
      Step-3: To stirred solution of 1-(2-fluoro-4-nitro-phenyl)piperazine 172-4 (8.0 g, 35.52 mmol) in toluene (200 ml) and ACN (100 ml) was added NaOAc (7.28 g, 88.80 mmol), followed by AcOH (8 ml) and molecular sieves 4 Å (10 g) and stirred for 15 min. After 15 min tert-butyl 3,3-difluoro-4-oxo-piperidine-1-carboxylate (11.49 g, 48.84 mmol, co-distilled with toluene before use) was added and the reaction mixture was allowed to reflux for 12 h, while monitoring by LCMS and TLC. After completion, reaction mixture was cooled to room temperature and filtered through Celite bed. The filtrate was concentrated under vacuum to dryness to afford crude residue 3,3-difluoro-4-(4-(2-fluoro-4-nitrophenyl)piperazin-1-yl)-3,6-dihydropyridine-1(2H)-carboxylate 172-6 (12.2 g, 98.89% purity) which was used for next step without any purification. LCMS (ES +): m/z 443.75 [M+H] +
      Step-4: The compound 172-6 (8 g, 18.08 mmol) was dissolved in a mixture of methanol (20 mL), DCE (20 mL) and AcOH (2 ml), allowed to stir for 15 min, before adding sodium cyanoborohydride (5.68 g, 90.41 mmol). After addition, the reaction mixture was stirred for 24 h at room temperature, while monitoring by LCMS and TLC. The reaction mixture was filtered through Celite bed and filtrate was concentrated under vacuum. Crude compound purified by (silica gel mesh 100-200, and product eluted with 30% ethyl acetate in pet ether-neat ethyl acetate) column chromatography to afford tert-butyl-3,3-difluoro-4-[4-(2-fluoro-4-nitro-phenyl)piperazin-1-yl]piperidine-1-carboxylate 172-7 (7.2 g, 15.39 mmol, 85.11% yield, 98% purity). LCMS (ES +): m/z 445.35 [M+H] +
      Step-5: To the stirred solution of tert-butyl 3,3-difluoro-4-(4-(2-fluoro-4-nitrophenyl)piperazin-1-yl)piperidine-1-carboxylate 172-7 (5 g, 11.25 mmol) in ethyl acetate (100 mL) was added 10% Palladium on carbon wet (3.59 g, 33.75 mmol) at RT. The reaction mixture was stirred at RT under H 2 balloon pressure for 12 h was monitored by TLC. After the completion of the reaction, the reaction mixture was filtered-off through Celite and washed with ethyl acetate (200 mL). The filtrate was concentrated to obtain the crude product which was triturated with pentane, decanted the organic layer and the solidified product was filtered, dried well to afford tert-butyl 4-[4-(4-amino-2-fluoro-phenyl)piperazin-1-yl]-3,3-difluoro-piperidine-1-carboxylate 172-8 (3 g, 61.48% yield, 95.56% purity) as pale pink solid. LCMS (ES +): m/z 415.56 [M+H] +
      Step-6: To a stirred solution of tert-butyl 4-[4-(4-amino-2-fluoro-phenyl)piperazin-1-yl]-3,3-difluoro-piperidine-1-carboxylate 172-8 (5 g, 12.06 mmol) in DMF (20 mL) taken in a seal tube was added 3-bromopiperidine-2,6-dione (6.95 g, 36.19 mmol) at rt followed by the addition of sodium bicarbonate (6.08 g, 72.38 mmol) and the reaction mixture was allowed to stir at 90° C. for 12 h. After the completion of the reaction, the reaction mixture was cooled to room temperature, diluted with ethyl acetate (200 mL) and filtered off through Celite. The filtrate washed with water (2×100 mL), brine (1×25 mL), dried over anhydrous Na 2SO 4, filtered and concentrated to get the crude product. The crude product was purified by column chromatography using silica gel (100/200 mesh) and the product eluted at 2-3% MeOH/DCM) to afford (tert-butyl 4-(4-(4-((2,6-dioxopiperidin-3-yl)amino)-2-fluorophenyl)piperazin-1-yl)-3,3-difluoropiperidine-1-carboxylate 172-9 (4.2 g, 56.31% yield, 91.08% purity) as a purple solid. LCMS (ES +): m/z 526.48 [M+H] +
      Step-7: To the stirred solution of tert-butyl 4-[4-[4-[(2,6-dioxo-3-piperidyl)amino]-2-fluoro-phenyl]piperazin-1-yl]-3,3-difluoro-piperidine-1-carboxylate 172-9 (7 g, 13.32 mmol) in 1,4-dioxane (30 mL) was added 4M HCl in dioxane (30.35 mL, 665.95 mmol, 30.35 mL) at 0° C. The reaction mixture was stirred at 0° C. for 30 minutes, slowly warmed to RT and stirred at RT for 6 h. After the completion of the reaction, the reaction mixture was concentrated and the residual mass was triturated with diethyl ether (3×100 mL) and the solid precipitated out was dried well to afford 3-[4-[4-(3,3-difluoro-4-piperidyl)piperazin-1-yl]-3-fluoro-anilino]piperidine-2,6-dione 172-10 as HCl salt (5.54 g, 90.05% yield, 91.71% purity) as pale blue solid. LCMS (ES +): m/z 426.22 [M+H] +
      Step 8: To a stirred solution of 3-[4-[4-(3,3-difluoro-4-piperidyl)piperazin-1-yl]-3-fluoro-anilino]piperidine-2,6-dione HCl 172-10 (5.65 g, 12.23 mmol) in DCE:MeOH (60:60 ml) were added 4 Å molecular sieves (3 g), acetic acid (0.797 g, 13.27 mmol) and sodium acetate (3.27 g, 39.82 mmol). The resulting solution was stirred for 10 min, then added 2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridyl)benzaldehyde 172-11 (4 g, 13.27 mmol) and heated the reaction mixture at 70° C. for 5 h then cooled it at RT and added Silia Bond Cyanoborohydride (3.85 g, 66.37 mmol). The stirring was continued at RT for 16 h, while monitoring the reaction by LCMS and TLC. After 16 h, the reaction mass was filtered through Celite, concentrated and purified by (Devisil silica gel, and product eluted with 1% to 5% MeOH in CH 2C2) column flash chromatography to afford compound was dissolved in dry DCM (10 ml) and TFA (5 ml) was added at 0° C., stirred it for 30 min. After 30 min, reaction crude was concentrated to dryness and obtained crude was washed with diethyl ether (3×20 ml) to afford 3-[4-[4-[1-[[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-3-pyridyl)phenyl]methyl]-3,3-difluoro-4-piperidyl]piperazin-1-yl]-3-fluoro-anilino]piperidine-2,6-dione TFA Compound 172 (3.21 g, 3.83 mmol, 28.85% yield, 98.40% purity) as a light green solid. 1H NMR (400 MHz, DMSO-d 6) δ 10.78 (s, 1H), 9.97 (s, 1H), 7.52 (s, 1H), 6.84 (t, J=9.3 Hz, 1H), 6.66 (s, 2H), 6.51 (d, J=15.0 Hz, 1H), 6.42 (d, J=8.5 Hz, 1H), 4.28-4.24 (m, 3H), 3.86 (s, 7H), 3.47 (s, 6H), 2.90 (bs, 9H), 2.76-2.68 (m, 1H), 2.53-2.54 (m, 1H), 2.08 (d, J=10.7 Hz, 9H), 1.91-1.87 (m, 1H). LCMS (ES +): m/z 711.20 [M+H] +

PAT

WO-2021178920

PAT

WO-2022216765

PAT

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/////////Sendegobresib, antineoplastic, AW8PEP3VZ3, CFT 8634, ORPHAN DRUG

Segigratinib, Ratangratinib

December 1, 2025 3:03 am / Leave a comment


Segigratinib, Ratangratinib

CAS 1882873-93-9

MF C27H28Cl2N6O3 MW 555.5 g/mol

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-(3,3-dimethylpiperazin-1-yl)benzamide

N-[6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(3,3-dimethylpiperazin-1-yl)benzamide
fibroblast growth factor receptor tyrosine kinase inhibitor, antineoplastic, 3D 185, Ratangratinib, 3D-185, G0Z5E4YTB4, HH 185

Ratangratinib is an orally bioavailable inhibitor of the fibroblast growth factor receptor (FGFR) types 1, 2, and 3 (FGFR1/2/3) and colony stimulating factor 1 receptor (CSF1R; CSF-1R; CD115; M-CSFR), with potential immunomodulatory and antineoplastic activities. Upon administration, ratangratinib binds to and inhibits FGFR1/2/3, which may result in the inhibition of FGFR1/2/3-mediated signal transduction pathways. This inhibits proliferation in FGFR1/2/3-overexpressing tumor cells. 3D185 also targets and binds to CSF1R, thereby blocking CSF1R activation and CSF1R-mediated signaling. This inhibits the activities of tumor-associated macrophages (TAMs) and myeloid-derived suppressor cells (MDSCs), and prevents immune suppression in the tumor microenvironment (TME). This enhances antitumor T-cell immune responses and inhibits the proliferation of tumor cells. FGFR, a family of receptor tyrosine kinases (RTKs) upregulated in many tumor cell types, plays a key role in cellular proliferation, migration and survival. CSF1R, also known as macrophage colony-stimulating factor receptor (M-CSFR) and CD115 (cluster of differentiation 115), is a cell-surface receptor that plays major roles in tumor cell proliferation and metastasis.

Efficacy and Safety of 3D185 Monotherapy in Subjects With Previously Treated Locally Advanced or Metastatic Cholangiocarcinoma

CTID: NCT05039892

Phase: Phase 2

Status: Not yet recruiting

Date: 2025-05-20

SYN

WO-2016026445-A1

https://patentscope.wipo.int/search/en/detail.jsf?docId=WO2016026445&_cid=P20-MIMK7T-68502-1

N-(6-(2,6-dichloro-3,5-dimethoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-6-(3,3-dimethylpiperazin-1-yl)nicotinamide


1H NMR(DMSO-d6,400MHz)δppm 13.39(s,1H),10.86(s,1H),8.81(d,1H,J＝2.0Hz),8.40(d,1H,J＝8.0Hz),8.16(dd,1H,J 1＝2.4Hz,J 2＝2.4Hz),7.08(t,2H,J＝8.4Hz),6.90(d,1H,J＝9.2Hz),3.99(s,6H),3.60(t,2H,J＝4.0Hz),3.43(s,2H),2.82(t,2H,J＝4.4Hz),1.04(s,6H).LCMS:556.2[M+H] +，RT＝1.21min。

SYN

US10562900,

https://patentscope.wipo.int/search/en/detail.jsf?docId=US204149576&_cid=P20-MIMK4B-66027-1

1H NMR (d-MeOD, 400 MHz) δ ppm 8.52 (d, J=8.0 Hz, 1H), 8.03 (d, J=8.0 Hz, 2H), 7.15-7.13 (m, 3H), 6.94 (s, 1H), 3.99 (s, 6H), 3.58-3.57 (m, 2H), 3.44-3.40 (m, 4H), 10.50 (s, 6H).

PAT

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////////segigratinib, antineoplastic, 3D 185, Ratangratinib, 3D-185, G0Z5E4YTB4, HH 185

Segatroxaban

November 30, 2025 8:36 am / Leave a comment


Segatroxaban

CAS 1184300-63-7

MF C24H30ClN5O5S2 MW568.11

5-chloro-N-{(2S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzene1-sulfonamido]-3-(4-methylpiperazin-1-yl)-3-oxopropyl}thiophene-2-carboxamide

2-THIOPHENECARBOXAMIDE, 5-CHLORO-N-((2S)-2-(((2-METHYL-3-(2-OXO-1-PYRROLIDINYL)PHENYL)SULFONYL)AMINO)-3-(4-METHYL-1-PIPERAZINYL)-3-OXOPROPYL)-5-CHLORO-N-((2S)-2-(((2-METHYL-3-(2-OXO-1-PYRROLIDINYL)PHENYL)SULFONYL)AMINO)-3-(4-METHYL-1-PIPERAZINYL)-3-OXOPROPYL)-2-THIOPHENECARBOXAMIDE5-CHLOROTHIOPHENE-2-CARBOXYLIC ACID N-((S)-2-(((2-METHYL-3-(2-OXOPYRROLIDIN-1-YL)PHENYL)SULFONYL)AMINO)-3-(4-METHYLPIPERAZIN-1-YL)-3-OXOPROPYL)AMIDE5-CHLORO-N-((2S)-2-(2-METHYL-3-(2-OXOPYRROLIDIN-1-YL)BENZENE-1-SULFONAMIDO)-3-(4-METHYLPIPERAZIN-1-YL)-3-OXOPROPYL)THIOPHENE-2-CARBOXAMIDE
blood coagulation factors Xa and IIa (thrombin) inhibitor, 53FM6EUY9U, SAR107375, SAR 107375

SYN

WO-2009103440

https://patentscope.wipo.int/search/en/detail.jsf?docId=WO2009103440&_cid=P10-MILGON-12468-1

SYN

WO-2014174102-A1

https://patentscope.wipo.int/search/en/detail.jsf?docId=WO2014174102&_cid=P10-MILGJE-09654-1

SYN

WO-2023031083-A1

https://patentscope.wipo.int/search/en/detail.jsf?docId=WO2023031083&_cid=P10-MILGQR-13553-1

PAT

Chlorothiophene-amides as inhibitors of coagulation factors xa and thrombin

Publication Number: WO-2009103440-A1

Priority Date: 2008-02-21

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Rupitasertib

November 29, 2025 3:11 am / Leave a comment


Rupitasertib

CAS 1379545-95-5

MF C21H19ClF3N5O 449.9 g/mol

4-({(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl}amino)quinazoline-8-carboxamide

4-[[(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]amino]quinazoline-8-carboxamide
serine/ threonine kinase inhibitor, antineoplastic, EMD SERONO, Gastric cancer; HER2 positive breast cancer; Solid tumours, M2698 HCl, M2698 hydrochloride, MSC2363318A, MSC 2363318A, MSC-2363318A, M2698, M-269, M 2698. Rupitasertib HCl, 0DXG50I4WD

  • OriginatorEMD Serono
  • DeveloperEMD Serono; Evexta Bio
  • ClassAntineoplastics; Small molecules
  • Mechanism of Action70 kDa ribosomal protein S6 kinase inhibitors; Proto-oncogene protein c-akt inhibitors
  • PreclinicalGlioblastoma; HER2 negative breast cancer
  • No development reportedGastric cancer; HER2 positive breast cancer; Solid tumours
  • 28 Oct 2025No recent reports of development identified for preclinical development in Gastric-cancer in France (PO)
  • 28 Jun 2025No recent reports of development identified for phase-I development in HER2-positive-breast-cancer(Combination therapy, Late-stage disease, Metastatic disease) in USA (PO)
  • 28 Jun 2025No recent reports of development identified for phase-I development in Solid-tumours(Combination therapy, Late-stage disease) in USA (PO)
  • First-in-Human Dose Escalation Trial in Subjects With Advanced Malignancies
  • CTID: NCT01971515
  • Phase: Phase 1
  • Status: Completed
  • Date: 2018-09-19

Rupitasertib is an orally available inhibitor of the serine/threonine protein kinases ribosomal protein S6 Kinase (p70S6K) and Akt (protein kinase B), with potential antineoplastic activity. Upon administration, rupitasertib binds to and inhibits the activity of p70S6K and Akt. This prevents the activation of the PI3K/Akt/p70S6K signaling pathway and inhibits tumor cell proliferation in cancer cells that have an overactivated PI3K/Akt/p70S6K signaling pathway. Constitutive activation and dysregulated signaling of the PI3K/Akt/p70S6K pathway are frequently associated with tumorigenesis of many tumor types; targeting multiple kinases in this pathway is more efficacious than targeting a single kinase.

An optimized S6K inhibitor to overcome limitations of PAM pathway inhibitors

In just over 20 years, protein kinase inhibitors have changed the face of oncology and opened the new eras of targeted therapies and precision medicine. However, with few exceptions, no patient can be cured by one of these drugs alone. Today, scientists seek to develop novel kinase inhibitors[1] with improved efficacy and the potential to overcome resistances. The dual S6K AKT1/3 inhibitor rupitasertib (formerly DIACC3010, acquired from Merck KGaA, Darmstadt, Germany) has both of these characteristics and reaches brain metastases. After successfully completing a Phase I trial in patients with advanced/refractory solid tumors, including breast cancer, the drug candidate will be evaluated in a Phase 2/3 trial in ER+ HER2 breast cancer, which is expected to start in 2024.

SYN

https://patentscope.wipo.int/search/en/detail.jsf?docId=WO2012069146&_cid=P10-MIJPKI-12294-1

Example 4 was prepared following the general synthesis of A-E starting with (S)-2- amino-2-(3,4-di-fluoro-phenyl)-ethanol.LCMS [384.20 (M+1)]. 1H NMR (DMSO-d6, ppm) 1.92 (2H), 2.75 (1H), 2.93 (1H), 3.15 (4H), 5.43 (1H), 7.34 (2H), 7.53 (1H), 7.68 (1H), 7.81 (1H), 8.58 (4H), 10.30 (1H).

4-[(S)-2-Azetidin-1-yl-1-(4-chloro-3-trifluoromethylphenyl)-ethylamino]-guinazoline-8- carboxylic acid amide (5)

IC50 P70S6K [nM]: 0.9

pS6 MDA-MB-468 [nM]: 11

Akt1 IC50 [nM]: 1.4

Aurora B IC50 [nM]: 100

PAT

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////////////Rupitasertib, antineoplastic, EMD SERONO, Gastric cancer; HER2 positive breast cancer; Solid tumours, M2698 HCl, M2698 hydrochloride, MSC2363318A, MSC 2363318A, MSC-2363318A, M2698, M-269, M 2698. Rupitasertib HCl, 0DXG50I4WD

Rogocekib

November 28, 2025 3:06 am / Leave a comment


Rogocekib

CAS 2144751-78-8

MF C19H17FN8O2 MW 408.39

1-({5-[(1R)-1-fluoroethyl]-1,3,4-oxadiazol-2-yl}methyl)-6-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-methyl1H-imidazo[4,5-b]pyridine

2-[(1R)-1-fluoroethyl]-5-[[6-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-methylimidazo[4,5-b]pyridin-1-yl]methyl]-1,3,4-oxadiazole
dual specificity protein kinase CLK (CDC2-like kinase)inhibitor, antineoplastic, CTX 712, XE88VQP94E

Rogocekib is an orally effective CLK 2 inhibitor, with an IC50 of 1.4 nM, showing anti-tumor activity.

Rogocekib is an orally bioavailable inhibitor of CLK family kinases, with potential antineoplastic activity. Upon oral administration, rogocekib binds to and inhibits the activity of CLK family kinases, thereby inhibiting the phosphorylation of serine/arginine-rich (SR) domain-containing splicing factors (SFs). This modulates RNA splicing, prevents the expression of certain tumor-associated genes, and inhibits tumor cell proliferation. In many cancer cells, core spliceosome proteins, including SF3B1, U2 small nuclear ribonucleoprotein auxiliary factor 1 (U2AF1), serine/arginine-rich splicing factor 2 (SRSF2) and U2 small nuclear ribonucleoprotein auxiliary factor subunit-related protein 2 (ZRSR2), are mutated and aberrantly activated leading to a dysregulation of mRNA splicing. CLK family kinases, an evolutionarily conserved group of kinases, phosphorylates various SR proteins including SR domain-containing SFs.

SYN

https://pubs.acs.org/doi/10.1021/acsmedchemlett.5c00412

(R)-2-fluoropropanoic acid (21)
(R)-Ethyl 2-fluoropropanoate (20) (95 g, 791 mmol) was suspended in 10% sulfuric acid (950 mL), and heated and
refluxed for 3 h. After cooled, sodium chloride was added to saturate the aqueous layer, and the aqueous layer
was extracted with TBME (900 mL x4). The obtained organic layer was dried over MgSO4, and concentrated under
reduced pressure to give the title compound (124 g, 791 mmol calcd as quant., containing TBME).
1H NMR (300 MHz, DMSO-d6) δ 1.35-1.56 (3H, m), 4.91-5.21 (1H, m), 13.19 (1H, brs).
(S)-2-amino-3-phenylpropane-1-ol (R)-2-fluoropropanoate (22)
To a solution of (S)-2-amino-3-phenylpropan-1-ol (119 g, 787 mmol) in EtOH (360 mL) and MeCN (1090 mL) was
added dropwise a solution of 21 (791 mmol, theoretically calcd as quant.) in MeCN (1090 mL) at 65° C to 70° C.
The mixture was stirred at 60° C for 1 h, and further stirred at room temperature for 1 h. Precipitated crystals were
collected by filtration, and washed with MeCN (500 mL) to obtain white crystals (170 g, 699 mmol, 89%).
The obtained crystals(140 g, 575 mmol) were dissolved in EtOH (700 mL) at 60° C, and to the solution was added
MeCN (4200 mL) at 58° C to 65° C. The mixture was stirred at 60° C for 1 h. The mixture was cooled to room
temperature, and then stirred overnight at room temperature. The obtained solid was collected by filtration, and
washed with MeCN to obtain give the title compound (109 g, 448 mmol, 78%) as a white crystal.
(R)-2-((6-bromo-2-methyl-1H-imidazo[4,5-b]pyridin-1-yl)methyl)-5-(1-fluoroethyl)-1,3,4-oxadiazole ((R)-19b)
22 (109 g, 448 mmol) was dissolved in 1M HCl aq. (1500 mL) and brine (1500 mL) and extracted with TBME (1000
mL x4). The organic layer was dried over MgSO4 and concentrated in vacuo to give free salt of 22 (i.e., 21) as a
colorless oil. 50 wt% T3P in EtOAc (419 mL, 704 mmol) was added to a suspension of the above material, 17a (100
g, 351.97 mmol), and DIPEA (246 mL, 1408 mmol) in BuOAc (3000 mL) at room temperature. After being stirred at
50 °C for 30 min, 50 wt% T3P in EtOAc (210 mL, 351.97 mmol) was added to the mixture and then the mixture was
heated and refluxed for 3 h. After cooling, to the mixture was added sat NaHCO3 aq. (3000 mL), then the insoluble

material was removed by filtration. The filtrate was extracted with EtOAc (1500 mL x2). The organic layer was
separated, washed with water and brine, then passed through NH silica gel eluted with EtOAc. The residue was
concentrated in vacuo and the resulting precipitate was washed with IPE (3000 mL) to give the title compound
(57.8 g, 170 mmol, 48.3%) as an off-white solid.
1H NMR (300 MHz, DMSO-d6) δ 1.62-1.79 (3H, m), 2.62 (3H, s), 5.83-6.14 (3H, m), 8.38 (1H, d, J = 1.9 Hz), 8.45 (1H,
d, J = 1.9 Hz). MS m/z 340.0, 341.9 [M+H]+
.
1-((5-((1R)-1-fluoroethyl)-1,3,4-oxadiazol-2-yl)methyl)-6-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)-2-methyl1H-imidazo[4,5-b]pyridine ((R)-19, CTX-712)
A mixture of (4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl)boronic acid (79 g, 409.39 mmol), (R)-19b (100 g, 294
mmol), Pd(Amphos)Cl2 (2.00 g, 2.97 mmol), 2 M Cs2CO3 aq. (295 mL, 590 mmol) and DME (2000 mL) was stirred at
80 °C for 1 h. After cooled to 50 °C, the mixture was diluted with THF (1000 mL). The mixture was poured into
NaHCO3 aq. (1600 mL) and extracted with EtOAc (1000 mL x3). The organic layer was separated, washed with 5%
ammonia aq. (1600 mLx2) and brine (1600 mL), dried over MgSO4 and concentrated in vacuo to give a yellow solid.
To the solution of obtained solid in THF (8000 mL) and water (200 mL) was added NH silica gel (2400 g) and stirred
for 3.5 h at room temperature. The insoluble material was removed by filtration and washed with THF (15 L). The
filtrate was concentrated in vacuo to give a yellow solid. The solid was washed with TBME to give the title
compound (98 g, 240 mmol, 82 %) as a pale yellow solid. A mixture of the above material (115 g, 270 mmol) and
activated carbon (Ecosorb, 33 g) in EtOH/water = 9/1 (2200 mL) and water (1100 mL) was stirred at 55 °C for 1 h.
The insoluble material was removed by filtration, and washed EtOH (550 mL). The resultant solution was diluted
with water (1600 mL) at 55 °C and stirred at room temperature overnight. After cooled to 5 °C, the mixture was
stirred for 3 h. The solid was collected by filtration and washed with EtOH/water = 1/1 (1000 mL) to give a
colorless crystal (88 g, 207 mmol, 77% as a water adduct).
1H NMR (300 MHz, DMSO-d6) δ 1.58-1.82 (3H, m), 2.67 (3H, s), 3.96 (3H, s), 5.83-6.18 (3H, m), 7.06 (1H, d, J = 2.7
Hz), 8.06 (1H, d, J = 2.7 Hz), 8.23 (2H, t, J = 1.0 Hz), 8.59 (1H, d, J = 2.0 Hz). MS m/z 409.1 [M+H]+
.

PAT

Patent document 1: 

WO 2010/016526

https://patentscope.wipo.int/search/en/detail.jsf?docId=WO2010016526&_cid=P10-MIIA44-38372-1

WO 2011/096535

SYN

WO-2023190967

https://patentscope.wipo.int/search/en/detail.jsf?docId=WO2023190967&_cid=P10-MII9ZT-35263-1

SYN

WO-2024048541

SYN

WO2017188374

https://patentscope.wipo.int/search/en/detail.jsf?docId=JP275206879&_cid=P10-MII9SJ-29591-1

https://data.epo.org/publication-server/rest/v1.2/publication-dates/2025-02-05/patents/EP4501328NWA1/document.pdf

PAT

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///////rogocekib, CTX 712, XE88VQP94E

Riselcaftor

November 27, 2025 8:31 am / Leave a comment


Riselcaftor

CAS 2799652-36-9

MF C29H28N2O5S MW 516.61

(2R,4R)-2-(2-methoxy-5-methylphenyl)-N-(2-methylquinoline-5-sulfonyl)-4-phenyloxolane-2-
carboxamide

(2R,4R)-2-(2-methoxy-5-methylphenyl)-N-(2-methylquinolin-5-yl)sulfonyl-4-phenyloxolane-2-carboxamide
cystic fibrosis transmembrane regulator (CFTR)protein modulator, 726GWJ6KQQ

Riselcaftor (Example 33) is a CFTR modulator, with an EC50 of 20.1 nM in human bronchial epithelial cells. Riselcaftor can be used for research of cystic fibrosis.

SYN

US20220211692

https://patentscope.wipo.int/search/en/detail.jsf?docId=US367940046&_cid=P11-MIH63N-23616-1

Example 33

(2R,4R)-2-(2-methoxy-5-methylphenyl)-N-(2-methylquinoline-5-sulfonyl)-4-phenyloxolane-2-carboxamide

      The enantiomers of Example 32D (140 mg) were separated by chiral preparative supercritical fluid chromatography (ES Industries AD-H column (21×250 mm, 5 micron) 12.8 mg/mL in 10:1 methanol/diethylamine, 56 g/minutes CO 2, RT 11.8 minutes) to provide the title compound (84.7 mg, 0.164 mmol, 60.2% yield). 1H NMR (500 MHz, dimethyl sulfoxide-d 6) δ ppm 12.07 (s, 1H), 8.80 (d, J=8.9 Hz, 1H), 8.27 (d, J=7.3 Hz, 1H), 8.24 (d, J=8.5 Hz, 1H), 7.90 (t, J=7.9 Hz, 1H), 7.48 (d, J=8.9 Hz, 1H), 7.28-7.22 (m, 3H), 7.21-7.16 (m, 1H), 7.11-7.06 (m, 2H), 7.06-7.01 (m, 1H), 6.63 (d, J=8.3 Hz, 1H), 4.15 (t, J=7.9 Hz, 1H), 3.73 (t, J=8.7 Hz, 1H), 3.21-3.14 (m, 1H), 3.11 (s, 3H), 3.05 (dd, J=13.4, 7.0 Hz, 1H), 2.71 (s, 3H), 2.22 (s, 3H), 1.85 (t, J=11.8 Hz, 1H). MS(APCI+) m/z 517 (M+H) +.

PAT

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[1]. David J. Hardee, et al. Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use. Patent. US20220211692 A1

//////Riselcaftor, 726GWJ6KQQ

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