Dabrafenib (Mesylate)

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Also known as: 1195768-06-9, Dabrafenib (mesylate), Gsk 2118436b, Dabrafenib mesilate, Dabrafenib mesylate [usan], Unii-b6dc89i63e

Molecular Formula

C₂₄H₂₄F₃N₅O₅S₃

Molecular Weight

615.7 g/mol

InChI Key

YKGMKSIHIVVYKY-UHFFFAOYSA-N

FDA UNII

B6DC89I63E

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.

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. Dabrafenib (mesylate)

3. Gsk 2118436b

4. Dabrafenib Mesilate

5. Dabrafenib Mesylate [usan]

6. Unii-b6dc89i63e

7. Gsk-2118436 Mesylate

8. Gsk-2118436b

9. Methane Sulfonate Salt

10. Gsk2118436b

11. Gsk2118436 Mesylate

12. B6dc89i63e

13. Chebi:75048

14. Gsk-2118436b Mesylate

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

16. Gsk2118436b, Methane Sulfonate Salt

17. Gsk-2118436 Methanesulfonate Salt

18. Gsk-2118436b Methanesulfonate Salt

19. Gsk2118436 Mesylate;gsk 2118436b

20. Dabrafenib Mesilate (jan)

21. Dabrafenib Mesylate (gsk-2118436)

22. Dabrafenib Mesylate (usan)

23. Dabrafenib Mesilate [jan]

24. Taflinar

25. N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;methanesulfonic Acid

26. Dabrafenib Methanesulfonate

27. Tafinlar (tn)

28. Gsk2118436 Methane Sulfonate Salt

29. Dabrafenib Monomesylate

30. Gsk 2118436 Mesylate

31. Schembl1127269

32. Chembl2105729

33. Dabrafenib Mesylate [mi]

34. Dtxsid70152500

35. Amy30045

36. Bcp04738

37. Ex-a1559

38. Dabrafenib Mesilate [who-dd]

39. Hy-14660a

40. Mfcd20922872

41. S5069

42. Akos025396661

43. Ccg-270246

44. Cs-1641

45. Dabrafenib Mesylate [orange Book]

46. Ac-31302

47. As-17010

48. Ft-0696677

49. D10104

50. A903491

51. Sr-01000941590

52. Sr-01000941590-1

53. Q27145089

54. Gsk2118436 Ms Salt, Dabrafenib Ms Salt, Gsk2118436a Ms Salt

55. Benzenesulfonamide, N-(3-(5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl)- 2-fluorophenyl)-2,6-difluoro-, Methanesulfonate (1:1)

56. Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-, Methanesulfonate (1:1)

57. Dabrafenib Mesylaten-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide, Methanesulfonic Acid; Dabrafenib Mesylate

58. N-(3-(5-(2-aminopyrimidin-4-yl)-2-(1,1-dimethylethyl)thiazol-4-yl)-2-fluorophenyl)-2,6- Difluorobenzenesulfonamide Monomethanesulfonate

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

60. 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 Formula	C₂₄H₂₄F₃N₅O₅S₃
Molecular Weight	615.7 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	6
Exact Mass	615.08916689 g/mol
Monoisotopic Mass	615.08916689 g/mol
Topological Polar Surface Area	210 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	910
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	2

4 Drug and Medication Information

4.1 Drug Information

1 of 1
Drug Name	TAFINLAR
Active Ingredient	DABRAFENIB MESYLATE
Company	NOVARTIS PHARMS CORP (Application Number: N202806. Patents: 7994185, 8415345, 8703781, 8835443, 8952018, 9233956)

4.2 Drug Indication

* Melanoma:

Dabrafenib as monotherapy or in combination with trametinib is indicated for the treatment of adult patients with unresectable or metastatic melanoma with a BRAF V600 mutation (see sections 4. 4 and 5. 1).

* Adjuvant treatment of melanoma:

Dabrafenib in combination with trametinib is indicated for the adjuvant treatment of adult patients with Stage III melanoma with a BRAF V600 mutation, following complete resection.

* Non-small cell lung cancer (NSCLC):

Dabrafenib in combination with trametinib is indicated for the treatment of adult patients with advanced non-small cell lung cancer with a BRAF V600 mutation.

Treatment of melanoma, Treatment of solid malignant tumours (excluding melanoma)

5 Pharmacology and Biochemistry

5.1 ATC Code

L01EC02

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