Vemurafenib

Description: Vemurafenib / PLX4032 / RG7204 is a novel and potent inhibitor of B-RafV600E with IC50 of 31 nM in cell-free assay. 10-fold selective for B-RafV600E over wild-type B-Raf in enzymatic assays and the cellular

• Catalog: OFC918504651
• CAS: 918504-65-1
• Category: Fluorinated APIs
• Synonyms: PLX4032
• Purity: >98%

• IUPAC Name: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide
• InChI: InChI=1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
• InChI Key: GPXBXXGIAQBQNI-UHFFFAOYSA-N
• Isomeric SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F
• EC Number: 850-250-7

• Molecular Formula: C23H18ClF2N3O3S
• Molecular Weight: 489.92
• Appearance: White to off-white solid powder

• XLogP3-AA: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 489.0725466 g/mol
• Monoisotopic Mass: 489.0725466 g/mol
• Topological Polar Surface Area: 100Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 790