Dabrafenib, mutant B-Raf V600E inhibitor

Key facts

CAS number

1195765-45-7

Purity

>98%

Form

Solid

form

Molecular weight

519.6 Da

Molecular formula

C₂₃H₂₀F₃N₅O₂S₂

PubChem

44462760

Nature

Synthetic

Solubility

Soluble in DMSO to 50 mM (with warming)

Biochemical name

Dabrafenib

Biological description

Potent, ATP-competitive mutant B-Raf V600E inhibitor (IC50 = 0.7 nM), with selectivity versus wild-type B-Raf (IC50 = 5.2 nM) and c-RAf (IC50 = 6.3 nM) in cell-free assays. Antitumor activity *in vivo* in mouse models of B-Raf V600E melanoma.

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

InChi

InChI=1S/C23H20F3N5O2S2/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/h4-11,31H,1-3H3,(H2,27,28,29)

InChiKey

BFSMGDJOXZAERB-UHFFFAOYSA-N

IUPAC Name

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