Also known as: Azd2014, 1009298-59-2, Azd-2014, Vistusertib [inn], Azd 2014, 3-[2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido[5,6-e]pyrimidin-7-yl]-n-methylbenzamide

Molecular Formula

C₂₅H₃₀N₆O₃

Molecular Weight

462.5 g/mol

InChI Key

JUSFANSTBFGBAF-IRXDYDNUSA-N

FDA UNII

0BSC3P4H5X

Vistusertib is an orally bioavailable inhibitor of the mammalian target of rapamycin (mTOR) with potential antineoplastic activity. Vistusertib inhibits the activity of mTOR, which may result in the induction of tumor cell apoptosis and a decrease in tumor cell proliferation. mTOR, a serine/threonine kinase that is upregulated in a variety of tumors, plays an important role downstream in the PI3K/Akt/mTOR signaling pathway.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-methylbenzamide

2.1.2 InChI

InChI=1S/C25H30N6O3/c1-16-14-33-11-9-30(16)23-20-7-8-21(18-5-4-6-19(13-18)24(32)26-3)27-22(20)28-25(29-23)31-10-12-34-15-17(31)2/h4-8,13,16-17H,9-12,14-15H2,1-3H3,(H,26,32)/t16-,17-/m0/s1

2.1.3 InChI Key

JUSFANSTBFGBAF-IRXDYDNUSA-N

2.1.4 Canonical SMILES

CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOCC5C

2.1.5 Isomeric SMILES

C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)NC)N5CCOC[C@@H]5C

2.2 Other Identifiers

2.2.1 UNII

0BSC3P4H5X

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(5,6-e)pyrimidin-7-yl)-n-methylbenzamide

2. Azd-2014

3. Azd2014

2.3.2 Depositor-Supplied Synonyms

1. Azd2014

2. 1009298-59-2

3. Azd-2014

4. Vistusertib [inn]

5. Azd 2014

6. 3-[2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido[5,6-e]pyrimidin-7-yl]-n-methylbenzamide

7. Vistusertib (azd-2014)

8. Vistusertib [usan]

9. Vistusertib (azd2014)

10. 0bsc3p4h5x

11. Chembl2336325

12. 3-(2,4-bis((s)-3-methylmorpholino)pyrido[2,3-d]pyrimidin-7-yl)-n-methylbenzamide

13. 3-[2,4-bis[(3s)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-n-methylbenzamide

14. Benzamide, 3-(2,4-bis((3s)-3-methyl-4-morpholinyl)pyrido(2,3-d)pyrimidin-7-yl)-n-methyl-

15. 3-(2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido(5,6-e)pyrimidin-7-yl)-n-methylbenzamide

16. Unii-0bsc3p4h5x

17. Cc-551

18. Benzamide, 3-[2,4-bis[(3s)-3-methyl-4-morpholinyl]pyrido[2,3-d]pyrimidin-7-yl]-n-methyl-

19. 3-[2,4-bis((3s)-3-methylmorpholin-4-yl)pyrido-[5,6-e]pyrimidin-7-yl]-n-methylbenzamide

20. Vistusertib (jan/inn)

21. Vistusertib [jan]

22. Vistusertib [usan:inn]

23. Vistusertib [who-dd]

24. Mls006011011

25. Schembl290672

26. Gtpl7699

27. Dtxsid20143584

28. Ex-a155

29. Amy24188

30. Bcp05748

31. Bdbm50429701

32. Mfcd22628784

33. Nsc767189

34. Nsc780879

35. Nsc787289

36. Nsc799345

37. S2783

38. Zinc59258964

39. Akos024464879

40. Bcp9000362

41. Ccg-269370

42. Cs-0701

43. Db11925

44. Nsc-767189

45. Nsc-780879

46. Nsc-787289

47. Nsc-799345

48. Ncgc00346698-04

49. Ncgc00346698-11

50. Ncgc00346698-12

51. Ac-28425

52. As-16302

53. Hy-15247

54. Smr004702809

55. Sw219704-1

56. D10887

57. J-000268

58. Q27089147

59. 3-[2,4-bis-[(3s)-3-methyl-4-morpholinyl]-pyrido[2,3-d]pyrimidin-7-yl]-n-methylbenzamide

60. 3-(2,4-bis((3s)-3-methyl-4-morpholinyl)pyrido(2,3-d)pyrimidin-7-yl)-n-methylbenzamide

2.4 Create Date

2009-05-18

3 Chemical and Physical Properties

Molecular Formula	C₂₅H₃₀N₆O₃
Molecular Weight	462.5 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	462.23793884 g/mol
Monoisotopic Mass	462.23793884 g/mol
Topological Polar Surface Area	92.7 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	698
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Vistusertib

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