Sorafenib tosylateProduct ingredient for Sorafenib
- Name
- Sorafenib tosylate
- Drug Entry
- Sorafenib
Sorafenib is a bi-aryl urea and an oral multikinase inhibitor. It targets cell surface tyrosine kinase receptors and downstream intracellular kinases that are implicated in tumour cell proliferation and tumour angiogenesis.1 First approved by the FDA and European Commission in 2007 for the treatment of hepatocellular carcinoma, sorafenib is also indicated to treat renal carcinoma and differentiated thyroid carcinoma.3
- Accession Number
- DBSALT000165
- Structure
Structure for Sorafenib tosylate (DBSALT000165)
- Synonyms
- Sorafenib tosilate / Sorafenib tosylate
- External IDs
- BAY 54-9085
- UNII
- 5T62Q3B36J
- CAS Number
- 475207-59-1
- Weight
- Average: 637.027
Monoisotopic: 636.105717532 - Chemical Formula
- C28H24ClF3N4O6S
- InChI Key
- IVDHYUQIDRJSTI-UHFFFAOYSA-N
- 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)
- IUPAC Name
- 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]-C-hydroxycarbonimidoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide; 4-methylbenzene-1-sulfonic acid
- SMILES
- CC1=CC=C(C=C1)S(O)(=O)=O.CNC(=O)C1=NC=CC(OC2=CC=C(NC(O)=NC3=CC(=C(Cl)C=C3)C(F)(F)F)C=C2)=C1
- External Links
- Human Metabolome Database
- HMDB0062345
- PubChem Compound
- 406563
- ChemSpider
- 359744
- ChEBI
- 50928
- ChEMBL
- CHEMBL1200485
- Wikipedia
- Sorafenib
- Predicted Properties
Property Value Source Water Solubility 0.00152 mg/mL ALOGPS logP 4.54 ALOGPS logP 3.96 Chemaxon logS -5.5 ALOGPS pKa (Strongest Acidic) -7.2 Chemaxon pKa (Strongest Basic) 15.04 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 95.84 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 115.27 m3·mol-1 Chemaxon Polarizability 42.13 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon