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CAS 1195768-06-9
PharmaCompass
CAS 1195768-06-9
Also known as: 1195768-06-9, Unii-b6dc89i63e, Dabrafenib (mesylate), Gsk 2118436b, Methane sulfonate salt, Dabrafenib mesylate [usan]
Molecular Formula
C24H24F3N5O5S3
Molecular Weight
615.661  g/mol
InChI Key
YKGMKSIHIVVYKY-UHFFFAOYSA-N
FDA UNII
B6DC89I63E

1 2D Structure

CAS 1195768-06-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;methanesulfonic acid
2.1.2 InChI
InChI=1S/C23H20F3N5O2S2.CH4O3S/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25;1-5(2,3)4/h4-11,31H,1-3H3,(H2,27,28,29);1H3,(H,2,3,4)
2.1.3 InChI Key
YKGMKSIHIVVYKY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C)C1=NC(=C(S1)C2=NC(=NC=C2)N)C3=C(C(=CC=C3)NS(=O)(=O)C4=C(C=CC=C4F)F)F.CS(=O)(=O)O
2.2 Other Identifiers
2.2.1 UNII
B6DC89I63E
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1195768-06-9

2. Unii-b6dc89i63e

3. Dabrafenib (mesylate)

4. Gsk 2118436b

5. Methane Sulfonate Salt

6. Dabrafenib Mesylate [usan]

7. B6dc89i63e

8. Chebi:75048

9. Gsk2118436b

10. Dabrafenib Mesylate (gsk-2118436b)

11. Ak174048

12. Dabrafenib Mesylate (usan)

13. Taflinar

14. N-(3-(5-(2-aminopyrimidin-4-yl)-2-(tert-butyl)thiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide Methanesulfonate

15. Dabrafenib Mesylate (gsk-2118436)

16. Dabrafenib Methanesulfonate

17. Tafinlar (tn)

18. Gsk2118436 Methane Sulfonate Salt

19. Dabrafenib Monomesylate

20. Dabrafenib Mesilate (jan)

21. Gsk2118436 Mesylate

22. Gsk 2118436 Mesylate

23. Schembl1127269

24. Chembl2105729

25. Dtxsid70152500

26. Molport-039-136-624

27. Ykgmksihivvyky-uhfffaoysa-n

28. Aob87316

29. Ex-a1559

30. 1195768-06-9 (mesylate)

31. Gsk-2118436a

32. Gsk-2118436b

33. Hy-14660a

34. Mfcd20922872

35. Akos025396661

36. Api0024336

37. Cs-1641

38. Dabrafenib Mesylate(gsk-2118436b)

39. Ks-00000t33

40. As-17010

41. Sc-14698

42. Ft-0696677

43. D10104

44. Sr-01000941590

45. Sr-01000941590-1

46. Gsk2118436 Ms Salt, Dabrafenib Ms Salt, Gsk2118436a Ms Salt

47. N-{3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide Methanesulfonate

48. N-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide Methanesulfonate

2.4 Create Date
2009-12-22
3 Chemical and Physical Properties
Molecular Weight 615.661 g/mol
Molecular Formula C24H24F3N5O5S3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass615.089 g/mol
Monoisotopic Mass615.089 g/mol
Topological Polar Surface Area210 A^2
Heavy Atom Count40
Formal Charge0
Complexity910
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Information
1 of 1  
Drug NameTAFINLAR
Active IngredientDABRAFENIB MESYLATE
CompanyNOVARTIS PHARMS CORP (Application Number: N202806. Patents: 7994185, 8415345, 8703781, 8835443, 8952018, 9233956)

5 Pharmacology and Biochemistry
5.1 Pharmacology

Dabrafenib Mesylate is the mesylate salt form of dabrafenib, an orally bioavailable inhibitor of B-raf (BRAF) protein with potential antineoplastic activity. Dabrafenib selectively binds to and inhibits the activity of B-raf, which may inhibit the proliferation of tumor cells which contain a mutated BRAF gene. B-raf belongs to the raf/mil family of serine/threonine protein kinases and plays a role in regulating the MAP kinase/ERKs signaling pathway, which may be constitutively activated due to BRAF gene mutations.


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