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Chemistry

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Also known as: 1218779-75-9, Rivoceranib mesylate, Yn968d1, Yn-968d1, Yn 968d1, Tk02x14asj

Molecular Formula

C₂₅H₂₇N₅O₄S

Molecular Weight

493.6 g/mol

InChI Key

FYJROXRIVQPKRY-UHFFFAOYSA-N

FDA UNII

TK02X14ASJ

Rivoceranib Mesylate is the mesylate salt of rivoceranib, an orally bioavailable, small-molecule receptor tyrosine kinase inhibitor with potential antiangiogenic and antineoplastic activities. Rivoceranib selectively binds to and inhibits vascular endothelial growth factor receptor 2, which may inhibit VEGF-stimulated endothelial cell migration and proliferation and decrease tumor microvessel density. In addition, this agent mildly inhibits c-Kit and c-SRC tyrosine kinases.

1 2D Structure

apatinib mesylate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;methanesulfonic acid

2.1.2 InChI

InChI=1S/C24H23N5O.CH4O3S/c25-17-24(11-1-2-12-24)19-5-7-20(8-6-19)29-23(30)21-4-3-13-27-22(21)28-16-18-9-14-26-15-10-18;1-5(2,3)4/h3-10,13-15H,1-2,11-12,16H2,(H,27,28)(H,29,30);1H3,(H,2,3,4)

2.1.3 InChI Key

FYJROXRIVQPKRY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)O.C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4

2.2 Other Identifiers

2.2.1 UNII

TK02X14ASJ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Apatinib

2. Rivoceranib

3. Rivoceranib Mesylate

4. Yn-968d1

5. Yn968d1

2.3.2 Depositor-Supplied Synonyms

1. 1218779-75-9

2. Rivoceranib Mesylate

3. Yn968d1

4. Yn-968d1

5. Yn 968d1

6. Tk02x14asj

7. Rivoceranib Mesylate (usan)

8. 3-pyridinecarboxamide, N-(4-(1-cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-, Methanesulfonate (1:1)

9. Rivoceranib Mesylate [usan]

10. N-(4-(1-cyanocyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide Mesylate

11. N-[4-(1-cyanocyclopentyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide;methanesulfonic Acid

12. Unii-tk02x14asj

13. Apatinib?mesylate

14. 3-pyridinecarboxamide, N-[4-(1-cyanocyclopentyl)phenyl]-2-[(4-pyridinylmethyl)amino]-, Methanesulfonate (1:1)

15. Alitan (tn)

16. Apatinib-yn968d1

17. Apatinib - Yn968d1

18. Mls006011286

19. Chembl3545414

20. Schembl21847695

21. Dtxsid80153427

22. Hms3655h12

23. Bcp15234

24. Apatinib (registered Name In China)

25. Bdbm50152828

26. S2221

27. Rivoceranib Mesylate [who-dd]

28. Akos026750547

29. Bcp9000308

30. Ccg-269641

31. Cs-0694

32. Sb16589

33. N-(4-(1-cyanocyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)nicotinamide Methanesulfonate

34. Ac-35390

35. Hy-13342

36. Smr004703036

37. Sw220296-1

38. D11289

39. N-(4-(1-cyanocyclopentyl)phenyl)-2-(pyridin-4-ylmethylamino)nicotinamide Mesylate

40. N-(4-(1-cyanocyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)pyridine-3-carboxamide Mesylate

41. N-(4-(1-cyanocyclopentyl)phenyl)-2-((pyridin-4-ylmethyl)amino)pyridine-3-carboxamide Monomethanesulfonate Salt

2.4 Create Date

2010-04-26

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₂₇N₅O₄S
Molecular Weight	493.6 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	493.17837553 g/mol
Monoisotopic Mass	493.17837553 g/mol
Topological Polar Surface Area	153 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	701
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

Protein Kinase Inhibitors

Agents that inhibit PROTEIN KINASES. (See all compounds classified as Protein Kinase Inhibitors.)

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