Also known as: Bms-777607, 1025720-94-8, Bms 777607, 1196681-44-3, Bms777607, Aslan-002

Molecular Formula

C₂₅H₁₉ClF₂N₄O₄

Molecular Weight

512.9 g/mol

InChI Key

VNBRGSXVFBYQNN-UHFFFAOYSA-N

FDA UNII

A3MMS6HDO1

MET Tyrosine Kinase Inhibitor BMS-777607 is an inhibitor of MET tyrosine kinase with potential antineoplastic activity. MET tyrosine kinase inhibitor BMS-777607 binds to c-Met protein, or hepatocyte growth factor receptor (HGFR), preventing binding of hepatocyte growth factor (HGF) and disrupting the MET signaling pathway; this agent may induce cell death in tumor cells expressing c-Met. c-Met, a receptor tyrosine kinase overexpressed or mutated in many tumor cell types, plays an important role in tumor cell proliferation, survival, invasion, and metastasis, and in tumor angiogenesis.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

2.1.2 InChI

InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)

2.1.3 InChI Key

VNBRGSXVFBYQNN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F

2.2 Other Identifiers

2.2.1 UNII

A3MMS6HDO1

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bms 777607

2. Bms-777607

3. Bms777607

4. N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

2.3.2 Depositor-Supplied Synonyms

1. Bms-777607

2. 1025720-94-8

3. Bms 777607

4. 1196681-44-3

5. Bms777607

6. Aslan-002

7. Aslan002

8. N-(4-(2-amino-3-chloropyridin-4-yloxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

9. A3mms6hdo1

10. N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

11. Bms 817378

12. 3-pyridinecarboxamide, N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-

13. N-[4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

14. N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

15. 3-pyridinecarboxamide, N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-;3-pyridinecarboxamide, N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-

16. N-(4-((2-amino-3-chloropyridin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide.

17. Unii-a3mms6hdo1

18. 3-pyridinecarboxamide, N-(4-((2-amino-3-chloro-4-pyridinyl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-

19. Mls006010958

20. N-{4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl}-4-ethoxy -1-(4-fluorophenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide

21. Chembl460702

22. Gtpl7953

23. Schembl2588311

24. Bdbm28031

25. Chebi:91409

26. Dtxsid50145278

27. Ex-a004

28. 3f82

29. Hms3295i07

30. Hms3655c05

31. Amy24190

32. Bcp02303

33. Bcp13190

34. Bms777606

35. Mfcd16495773

36. Nsc764090

37. Nsc799365

38. S1561

39. Zinc39716080

40. Akos026750587

41. Bcp9000432

42. Ccg-264913

43. Cs-0227

44. Db12064

45. Ex-7213

46. Nsc-764090

47. Nsc-799365

48. Sb16607

49. Ncgc00263157-01

50. Ncgc00263157-09

51. Ac-30912

52. Ac-31421

53. As-17034

54. Da-35016

55. Hy-12076

56. N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxamide

57. Smr004702762

58. Bms-777607;bms777607

59. Ft-0701277

60. Ft-0722977

61. Sw219298-1

62. A25030

63. Bms-777607, >=98% (hplc)

64. J-004169

65. J-523337

66. Brd-k40738845-001-01-9

67. Q27075371

68. N-(4-(2-amino-3-chloropyridin-4-yloxy )-3-fluorophenyl)-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

69. N-[4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide;bms-817378;bms-777607

2.4 Create Date

2008-05-26

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₁₉ClF₂N₄O₄
Molecular Weight	512.9 g/mol
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	512.1062891 g/mol
Monoisotopic Mass	512.1062891 g/mol
Topological Polar Surface Area	107 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	867
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

ASLAN-002

ASLAN-002

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