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SNS 032

SNS 032

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Also known as: Sns-032, 345627-80-7, Bms-387032, Sns 032, Bms 387032, N-(5-(((5-(tert-butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)piperidine-4-carboxamide

Molecular Formula

C₁₇H₂₄N₄O₂S₂

Molecular Weight

380.5 g/mol

InChI Key

OUSFTKFNBAZUKL-UHFFFAOYSA-N

FDA UNII

9979I93686

CDK Inhibitor SNS-032 is a small aminothiazole molecule and cyclin dependent kinase (CDK) inhibitor with potential antineoplastic activity. SNS-032 binds to and prevents the phosphorylation of cyclin-dependent kinases, especially CDK2, 7, and 9 that regulate cell cycle progression. Inhibition of CDKs leads to cell cycle arrest and induces apoptosis. As a result, this agent causes cytotoxicity and prevents further tumor cell growth.

1 2D Structure

Sns-032

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

2.1.2 InChI

InChI=1S/C17H24N4O2S2/c1-17(2,3)12-8-19-13(23-12)10-24-14-9-20-16(25-14)21-15(22)11-4-6-18-7-5-11/h8-9,11,18H,4-7,10H2,1-3H3,(H,20,21,22)

2.1.3 InChI Key

OUSFTKFNBAZUKL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C)C1=CN=C(O1)CSC2=CN=C(S2)NC(=O)C3CCNCC3

2.2 Other Identifiers

2.2.1 UNII

9979I93686

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bms 387032

2. Bms-387032

3. Bms387032

4. Sns 032

5. Sns-032

2.3.2 Depositor-Supplied Synonyms

1. Sns-032

2. 345627-80-7

3. Bms-387032

4. Sns 032

5. Bms 387032

6. N-(5-(((5-(tert-butyl)oxazol-2-yl)methyl)thio)thiazol-2-yl)piperidine-4-carboxamide

7. N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide

8. Sns-032 (bms-387032)

9. Bms387032

10. Sns032

11. N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)piperidine-4-carboxamide

12. Sns-032 (hydrochloride)

13. N-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-yl)piperidine-4-carboxamide

14. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]thio]-2-thiazolyl]-4-piperidinecarboxamide

15. Chembl296468

16. 345627-80-7 (free Base)

17. 4-piperidinecarboxamide, N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-

18. 9979i93686

19. Bms-387072

20. N-(5-((5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl)-1,3-thiazol-2-yl)piperidine-4-carboxamide

21. Unii-9979i93686

22. Kinome_3820

23. Mls006011029

24. Schembl187401

25. Bdbm5931

26. Gtpl5670

27. Sns 032 [who-dd]

28. Chebi:91399

29. Cid_3025986

30. Amy2872

31. Dtxsid50188100

32. Ex-a054

33. Bcpp000066

34. Hms3295g09

35. Hms3654g10

36. Act06674

37. Bcp01951

38. Zinc3816409

39. Mfcd09833875

40. Nsc767048

41. Nsc799362

42. S1145

43. Akos015898717

44. Ccg-264835

45. Db05969

46. Nsc-767048

47. Nsc-799362

48. Sb16651

49. N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-peridinecarboxamide

50. Compound 21 [pmid: 15027863]

51. Ncgc00263167-01

52. Ncgc00263167-02

53. Ac-26846

54. As-35116

55. Hy-10008

56. Smr004702824

57. Sns-032(bms-387032)

58. Sns-032 - Bms-387032

59. A6078

60. Ft-0674612

61. Sw219478-1

62. A20554

63. 627b807

64. J-019645

65. J-523350

66. Brd-k43389698-001-01-6

67. Q27075347

68. N-(5-((5-tert-butyloxazol-2-yl)methylthio)thiazol-2-yl)piperidine-4-carboxamide;sns-032

69. 56h

70. N-(5-(((5-(1,1-dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-peridinecarboxam

71. N-[5-[[[5-(1,1-dimethylethyl)-2-oxazolyl]methyl]-thio]-2-thiazolyl]-4-piperidinecarboxamide

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₄N₄O₂S₂
Molecular Weight	380.5 g/mol
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	380.13406837 g/mol
Monoisotopic Mass	380.13406837 g/mol
Topological Polar Surface Area	134 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	454
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

4 Drug and Medication Information

4.1 Drug Indication

Investigated for use/treatment in cancer/tumors (unspecified), leukemia (unspecified), lymphoma (unspecified), multiple myeloma, and solid tumors.

5 Pharmacology and Biochemistry

5.1 Mechanism of Action

SNS-032 is a potent and selective inhibitor of CDKs 2, 7 and 9, which are critical in the communication and relay of signals to promote cellular growth and function. CDK2 is involved in cellular proliferation by regulating the initiation of and progression through the DNA-synthesis phase of the cell cycle. CDK7 and CDK9 are involved in transcriptional regulation of certain proteins involved in cell survival. Inappropriate activity by these CDKs can lead to unregulated proliferation, avoidance of apoptosis and increased cell survival, all of which are hallmarks of cancer. By selectively targeting these CDKs, SNS-032 may halt both aberrant cell proliferation and induce apoptosis.