apatinib mesylate

Synopsis, 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