Dabrafenib

Description: Dabrafenib / GSK2118436 is a mutant BRAFV600 specific inhibitor with IC50 of 0.7 nM in cell-free assays, with 7- and 9-fold less potency against B-Raf(wt) and c-Raf, respectively.

• Catalog: OFC1195765457
• CAS: 1195765-45-7
• Category: Fluorinated APIs
• Synonyms: GSK2118436
• Purity: >98%

• IUPAC Name: N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
• 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)
• InChI Key: BFSMGDJOXZAERB-UHFFFAOYSA-N
• Isomeric 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
• EC Number: 689-166-9

• Molecular Formula: C23H20F3N5O2S2
• Molecular Weight: 519.56
• Appearance: White to off-white solid powder

• XLogP3-AA: 4.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 519.10105173 g/mol
• Monoisotopic Mass: 519.10105173 g/mol
• Topological Polar Surface Area: 148Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 817