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Also known as: Volitinib, 1313725-88-0, Azd-6094, Hmpl-504, Azd6094, Savolitinib [inn]

Molecular Formula

C₁₇H₁₅N₉

Molecular Weight

345.4 g/mol

InChI Key

XYDNMOZJKOGZLS-NSHDSACASA-N

FDA UNII

2A2DA6857R

Savolitinib is an orally bioavailable inhibitor of the c-Met receptor tyrosine kinase with potential antineoplastic activity. Savolitinib selectively binds to and inhibits the activation of c-Met in an ATP-competitive manner, and disrupts c-Met signal transduction pathways. This may result in cell growth inhibition in tumors that overexpress the c-Met protein. C-Met encodes the hepatocyte growth factor receptor tyrosine kinase and plays an important role in tumor cell proliferation, survival, invasion, and metastasis, and tumor angiogenesis; this protein is overexpressed or mutated in a variety of cancers.

1 2D Structure

Savolitinib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[(1S)-1-imidazo[1,2-a]pyridin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

2.1.2 InChI

InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1

2.1.3 InChI Key

XYDNMOZJKOGZLS-NSHDSACASA-N

2.1.4 Canonical SMILES

CC(C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C

2.1.5 Isomeric SMILES

C[C@@H](C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C

2.2 Other Identifiers

2.2.1 UNII

2A2DA6857R

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-(1-(imidazo(1,2-a)pyridin-6-yl)ethyl)-6-(1-methyl-1h-pyrazol-4-yl)-1h-(1,2,3)triazolo(4,5-b)pyrazine

2. Azd6094

3. Hmpl-504

4. Volitinib

2.3.2 Depositor-Supplied Synonyms

1. Volitinib

2. 1313725-88-0

3. Azd-6094

4. Hmpl-504

5. Azd6094

6. Savolitinib [inn]

7. Hmpl504

8. (s)-1-(1-(imidazo[1,2-a]pyridin-6-yl)ethyl)-6-(1-methyl-1h-pyrazol-4-yl)-1h-[1,2,3]triazolo[4,5-b]pyrazine

9. Chembl3334567

10. 2a2da6857r

11. 1h-1,2,3-triazolo(4,5-b)pyrazine, 1-((1s)-1-imidazo(1,2-a)pyridin-6-ylethyl)-6-(1-methyl-1h-pyrazol-4-yl)-

12. 3-[(1s)-1-imidazo[1,2-a]pyridin-6-ylethyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

13. Orpathys

14. Unii-2a2da6857r

15. Azd6094, Hmpl-504

16. Volitinib(savolitinib)

17. Azd-6094volitinib

18. Savolitinib (usan/inn)

19. Savolitinib [usan:inn]

20. Savolitinib [usan]

21. Savolitinib [who-dd]

22. Gtpl9918

23. Hmpl 504

24. Schembl12489208

25. Ex-a845

26. Dtxsid801111016

27. Azd 6094

28. Bdbm50023342

29. Mfcd28359096

30. Nsc782121

31. Nsc800966

32. S7674

33. Akos030526403

34. Savolitinib(azd6094, Hmpl-504)

35. Zinc149738712

36. Ccg-267976

37. Db12048

38. Nsc-782121

39. Nsc-800966

40. Compound 28 [pmid: 25148209]

41. Ncgc00475727-01

42. Ac-35267

43. As-35250

44. Bv160378

45. Hy-15959

46. Savolitinib;volitinib;hmpl-504;azd-6094

47. A14419

48. D11139

49. J-690125

50. Q27254463

51. (3e)-5-chloro-3-[(5-{3-[(4-methyl-1,4-diazepan-1-yl)carbonyl]phenyl}-2-furyl)methylene]-1,3-dihydro-2h-indol-2-one Hydrochloride

52. 1-((s)-1-(imidazo(1,2-a)pyridin-6-yl)ethyl)-6-(1-methyl-1h-pyrazol-4-yl)-1h-(1,2,3)-triazolo(4,5-b)pyrazine

53. 4-{1-[(1s)-1-{imidazo[1,2-a]pyridin-6-yl}ethyl]-1h-[1,2,3]triazolo[4,5-b]pyrazin-6-yl}-1-methyl-1h-pyrazole

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₅N₉
Molecular Weight	345.4 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	345.14504152 g/mol
Monoisotopic Mass	345.14504152 g/mol
Topological Polar Surface Area	91.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	505
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1