Methyl 4-(4-(3-(4-((2-(Methylcarbamoyl)pyridin-4-yl)oxy)phenyl)ureido)phenoxy)picolinate

CAS: 2204442-52-2

Ref. TR-D297095

Product Information

• Name: Methyl 4-(4-(3-(4-((2-(Methylcarbamoyl)pyridin-4-yl)oxy)phenyl)ureido)phenoxy)picolinate
• Synonyms: Des-(4-chloro-3-trifluoromethyl)-4-(methyl-4-hydroxypicolinate) Sorafenib, 2-Pyridinecarboxylic acid, 4-[4-[[[[4-[[2-[(methylamino)carbonyl]-4-pyridinyl]oxy]phenyl]amino]carbonyl]amino]phenoxy]-, methyl ester (ACI), Methyl 4-[4-[[4-[[2-(methylcarbamoyl)-4-pyridyl]oxy]phenyl]carbamoylamino]phenoxy]pyridine-2-carboxylate
• Brand: TRC

Description

Applications Des-(4-chloro-3-trifluoromethyl)-4-(methyl-4-hydroxypicolinate) Sorafenib is an impurity of Sorafenib (S676850), a multiple kinase inhibitor targeting both RAF kinase and receptor tyrosine kinases that promote angiogensis. Antineoplastic.
References Richly, H., et al.: Int. J. Clin. Pharmacol. Ther., 41, 620 (2003), Khire, U.R., et al.: Bioorg. Med. Chem. Lett., 14, 783 (2004), Wilhelm, S.M., et al.: Cancer Res., 64, 7099 (2004), Rini, B.I., et al.: Expert Opin. Pharmacother., 7, 453 (2006),

Chemical properties

• Molecular weight: 513.501
• Formula: C₂₇H₂₃N₅O₆
• Color/Form: Neat
• InChI: InChI=1S/C27H23N5O6/c1-28-25(33)23-15-21(11-13-29-23)37-19-7-3-17(4-8-19)31-27(35)32-18-5-9-20(10-6-18)38-22-12-14-30-24(16-22)26(34)36-2/h3-16H,1-2H3,(H,28,33)(H2,31,32,35)
• InChI key: InChIKey=LYFLMAXULJNQKQ-UHFFFAOYSA-N
• SMILES: CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Oc4ccnc(C(=O)OC)c4)cc3)cc2)ccn1