Capecitabine

Capecitabine is a prodrug of 5-fluorouracil (5-FU, Cay-14416). It is converted to 5-FU via several enzymatic steps beginning in the liver and ending with conversion in tumor tissue by thymidine phosphorylase, an enzyme that is more concentrated in tumor tissue compared with normal tissue. Capecitabine is cytotoxic only at high concentrations in Scaber, SIHA, and MKN45 cells (IC50s = 97, 578, and 994 µM, respectively) and is inactive in a variety of cancer cell lines, including COLO205, HCT116, and MCF-7 cells (IC50s = >1,000 µM).Formal Name: 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-cytidine. CAS Number: 154361-50-9. Synonyms: Ro 09-1978. Molecular Formula: C15H22FN3O6. Formula Weight: 359.4. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 14 mg/ml, DMSO: 12.5 mg/ml, Ethanol: 5 mg/ml, PBS (pH 7.2): 0.15 mg/ml. lambdamax: 215, 243, 308 nm. SMILES: O=C1N([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)C=C(F)C(NC(OCCCCC)=O)=N1. InChi Code: InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1. InChi Key: GAGWJHPBXLXJQN-UORFTKCHSA-N.