CAS 1000669-72-6

Chemistry

Chemistry

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Also known as: Kw-2449, 1000669-72-6, Kw 2449, Kw2449, 841258-76-2, [4-[(e)-2-(1h-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone

Molecular Formula

C₂₀H₂₀N₄O

Molecular Weight

332.4 g/mol

InChI Key

YYLKKYCXAOBSRM-JXMROGBWSA-N

FDA UNII

2D9N67F58G

FLT3/ABL/Aurora Kinase Inhibitor KW-2449 is an orally available inhibitor of FMS-related tyrosine kinase 3 (FLT3, STK1, or FLK2), the tyrosine kinase ABL, and aurora kinases, with potential antineoplastic activity. Upon administration, FLT3/ABL/Aurora kinase inhibitor KW-2449 specifically binds to and inhibits both wild-type and mutated forms of FLT3, ABL and aurora kinases, which both interferes with the activation of signal transduction pathways mediated by these kinases and reduces the proliferation of susceptible cancer cells. FLT3 and ABL kinases are upregulated in certain tumor cells and play important roles in tumor cell proliferation and metastasis. Aurora kinases, serine-threonine kinases overexpressed by a wide variety of cancer cell types, play essential roles in mitotic checkpoint control.

1 2D Structure

CAS 1000669-72-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-[(E)-2-(1H-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone

2.1.2 InChI

InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+

2.1.3 InChI Key

YYLKKYCXAOBSRM-JXMROGBWSA-N

2.1.4 Canonical SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)C=CC3=NNC4=CC=CC=C43

2.1.5 Isomeric SMILES

C1CN(CCN1)C(=O)C2=CC=C(C=C2)/C=C/C3=NNC4=CC=CC=C43

2.2 Other Identifiers

2.2.1 UNII

2D9N67F58G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Kw 2449

2. Kw-2449

3. Kw2449

2.3.2 Depositor-Supplied Synonyms

1. Kw-2449

2. 1000669-72-6

3. Kw 2449

4. Kw2449

5. 841258-76-2

6. [4-[(e)-2-(1h-indazol-3-yl)ethenyl]phenyl]-piperazin-1-ylmethanone

7. Chembl1908397

8. 2d9n67f58g

9. [4-[2-(1h-indazol-3-yl)ethenyl]phenyl]-1-piperazinylmethanone

10. Methanone, [4-[2-(1h-indazol-3-yl)ethenyl]phenyl]-1-piperazinyl-

11. (4-((1e)-2-(1h-indazol-3-yl)ethenyl)phenyl)-1-piperazinylmethanone

12. Piperazine, 1-(4-((1e)-2-(1h-indazol-3-yl)ethenyl)benzoyl)-

13. Methanone, (4-(2-(1h-indazol-3-yl)ethenyl)phenyl)-1-piperazinyl-

14. Kw-2449 Hydrochloride

15. Mls006011271

16. Unii-2d9n67f58g

17. Gtpl5691

18. Schembl1596894

19. Schembl1596897

20. Chebi:91441

21. Kw 2449 [who-dd]

22. Dtxsid701026046

23. Bcp02848

24. Ex-a2306

25. 897016-82-9 (free Base)

26. Bdbm50355496

27. Mfcd18385006

28. Nsc759675

29. Nsc800778

30. S2158

31. Zinc43201999

32. Akos027460993

33. Bcp9000826

34. Ccg-267833

35. Cs-0231

36. Nsc-759675

37. Nsc-800778

38. Ncgc00346569-07

39. 841259-17-4

40. Ac-28419

41. As-71712

42. Hy-10339

43. Smr004703021

44. Sw219852-1

45. H11584

46. J-502761

47. (e)-1-{4-[2-(1h-indazol-3-yl)vinyl]benzoyl}piperazine

48. (4-(2-(1h-indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone

49. 3-{2-[4-(piperazine-1-carbonyl)phenyl]ethenyl}-1h-indazole

50. 3-[(e)-2-{4-[(piperazin-1-yl)carbonyl]phenyl}ethenyl]-2h-indazole

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₀N₄O
Molecular Weight	332.4 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	332.16371127 g/mol
Monoisotopic Mass	332.16371127 g/mol
Topological Polar Surface Area	61 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	480
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS 1000669-72-6

CAS 1000669-72-6

Chemistry

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