Sorafenib tosylate

Description: Sorafenib / BAY 43-9006 blocks the enzyme RAF kinase, a critical component of the RAF/MEK/ERK signaling pathway that controls cell division and proliferation; in addition, sorafenib inhibits the VEGFR-2/PDGFR-beta signaling cascade, thereby blocking tumor angiogenesis. Sorafenib was approved in 2005 for use in the treatment of advanced renal cancer.

• Catalog: OFC475207591
• CAS: 475207-59-1
• Category: Fluorinated APIs
• Synonyms: BAY 43-9006
• Purity: >98%

• IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid
• InChI: InChI=1S/C21H16ClF3N4O3.C7H8O3S/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25;1-6-2-4-7(5-3-6)11(8,9)10/h2-11H,1H3,(H,26,30)(H2,28,29,31);2-5H,1H3,(H,8,9,10)
• InChI Key: IVDHYUQIDRJSTI-UHFFFAOYSA-N
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
• EC Number: 641-758-8

• Molecular Formula: C28H24ClF3N4O6S
• Molecular Weight: 637.02
• Appearance: White to off-white solid powder

• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 636.1057179 g/mol
• Monoisotopic Mass: 636.1057179 g/mol
• Topological Polar Surface Area: 155Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 853