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Also known as: 928037-13-2, E-7050, Golvatinib (e7050), E7050, Unii-516z3yp58e, Golvatinib (usan)

Molecular Formula

C₃₃H₃₇F₂N₇O₄

Molecular Weight

633.7 g/mol

InChI Key

UQRCJCNVNUFYDX-UHFFFAOYSA-N

FDA UNII

516Z3YP58E

Golvatinib is an orally bioavailable dual kinase inhibitor of c-Met (hepatocyte growth factor receptor) and VEGFR-2 (vascular endothelial growth factor receptor-2) tyrosine kinases with potential antineoplastic activity. c-Met/VEGFR kinase inhibitor E7050 binds to and inhibits the activities of both c-Met and VEGFR-2, which may inhibit tumor cell growth and survival of tumor cells that overexpress these receptor tyrosine kinases. c-Met and VEGFR-2 are upregulated in a variety of tumor cell types and play important roles in tumor cell growth, migration and angiogenesis.

1 2D Structure

Golvatinib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-N'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

2.1.2 InChI

InChI=1S/C33H37F2N7O4/c1-40-16-18-41(19-17-40)24-9-14-42(15-10-24)32(45)39-29-21-26(8-13-36-29)46-25-6-7-28(27(35)20-25)38-31(44)33(11-12-33)30(43)37-23-4-2-22(34)3-5-23/h2-8,13,20-21,24H,9-12,14-19H2,1H3,(H,37,43)(H,38,44)(H,36,39,45)

2.1.3 InChI Key

UQRCJCNVNUFYDX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC(=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F

2.2 Other Identifiers

2.2.1 UNII

516Z3YP58E

2.3 Synonyms

2.3.1 MeSH Synonyms

1. E 7050

2. E-7050

3. E7050 Cpd

4. N-(2-fluoro-4-((2-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)carbonylaminopyridin-4-yl)oxy)phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

2.3.2 Depositor-Supplied Synonyms

1. 928037-13-2

2. E-7050

3. Golvatinib (e7050)

4. E7050

5. Unii-516z3yp58e

6. Golvatinib (usan)

7. Golvatinib [usan]

8. 1-n'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-1-n-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

9. 516z3yp58e

10. N-[2-fluoro-4-[[2-[[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl]amino]pyridin-4-yl]oxy]phenyl]-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

11. Golvatinib Tartrate

12. Golvatinib [usan:inn]

13. N-(2-fluoro-4-{[2-({[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}amino)pyridin-4-yl]oxy}phenyl)-n'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

14. E7050;golvatinib

15. Golvatinib [inn]

16. E 7050

17. Golvatinib [who-dd]

18. Gtpl7956

19. Schembl1727298

20. Chembl3039525

21. Dtxsid40239155

22. Ex-a830

23. Chebi:177746

24. Hms3651j19

25. Bcp06122

26. Bdbm50100615

27. Mfcd22124462

28. Nsc800107

29. Nsc808608

30. S2859

31. Zinc43195317

32. Akos025404927

33. Ccg-270294

34. Cs-0595

35. Db11977

36. Nsc-800107

37. Nsc-808608

38. Sb16585

39. Ncgc00386210-06

40. Ac-30125

41. As-56994

42. Hy-13068

43. N-(2-fluoro-4-(2-(4-(4-methylpiperazin-1-yl)piperidine-1-carboxamido)pyridin-4-yloxy)phenyl)-n-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

44. B1439

45. Ft-0700410

46. Sw219690-1

47. D10224

48. E 7050;e7050

49. J-523320

50. Q27077829

51. 1,1-cyclopropanedicarboxamide, N-(2-fluoro-4-((2-(((4-(4-methyl-1-piperazinyl)-1- Piperidinyl)carbonyl)amino)-4-pyridinyl)oxy)phenyl)-n'-(4-fluorophenyl)-

52. 1,1-cyclopropanedicarboxamide, N-(2-fluoro-4-((2-(((4-(4-methyl-1-piperazinyl)-1-piperidinyl)carbonyl)amino)-4-pyridinyl)oxy)phenyl)-n'-(4-fluorophenyl)-

53. 1-n'-[2-luoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-1-n-(4-luorophenyl)cyclopropane-1,1-dicarboxamide

54. 1-n\'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-1-n-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

55. Gv0

56. N'-[2-fluoro-4-[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]pyridin-4-yl]oxyphenyl]-n-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

57. N-(2-fluoro-4-((2-(((4-(4-methylpiperazin-1-yl)piperidin-1-yl)carbonyl)amino)pyridin-4- Yl)oxy)phenyl)-n'-(4- Fluorophenyl)cyclopropane-1,1-dicarboxamide

58. N-(2-fluoro-4-((2-(4-(4-methylpiperazin-1-yl)piperidine-1-carboxamido)pyridin-4-yl)oxy)phenyl)-n-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

59. N-[2-fluoro-4-[[2-[[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl]amino]pyridin-4-yl]oxy]phenyl]-n'-(4-fluorophenyl)cyclopropan E-1,1-dicarboxamide

60. N~1~-{2-fluoro-4-[(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yl)oxy]phenyl}-n'~1~-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

2.4 Create Date

2007-06-19

3 Chemical and Physical Properties

Molecular Formula	C₃₃H₃₇F₂N₇O₄
Molecular Weight	633.7 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	633.28750901 g/mol
Monoisotopic Mass	633.28750901 g/mol
Topological Polar Surface Area	119 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	1060
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	1