Docetaxel (hydrate)

Docetaxel is a microtubule-stabilizing agent and a semisynthetic derivative of paclitaxel (Cay-10461). It promotes microtubule assembly in a cell-free assay when used at a concentration of 20 µM and is cytotoxic to J774.2 cells (EC50 = 0.05 µM). In vivo, docetaxel inhibits tumor growth in several cancer models, including B16 murine melanoma and P388 murine leukemia models. Formulations containing docetaxel have been used in the treatment of head and neck, breast, and non-small cell lung cancer, gastric adenocarcinoma, and castration-resistant prostate cancer.Formal Name: (alphaR,betaS)-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-benzenepropanoic acid, 12b-(acetyloxy)-12-(benzoyloxy)-2aR,3,4S,4aS,5,6R,9S,10,11S,12S,12aR,12bS-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, hydrate. CAS Number: 700367-34-6. Synonyms: DTX, NSC 628503, RP 56976, Taxotel. Molecular Formula: C43H53NO14 . XH2O. Formula Weight: 807.9. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 5 mg/ml, DMSO: 5 mg/ml, DMSO:PBS (pH 7.2) (1:10): 0.1 mg/ml, Ethanol: 1.5 mg/ml. lambdamax: 229 nm. SMILES: CC(C1=C(C)[C@@H](OC([C@H](O)[C@@H](NC(OC(C)(C)C)=O)C2=CC=CC=C2)=O)C3)(C)[C@]3(O)[C@@H](OC(C4=CC=CC=C4)=O)[C@@]([C@@](CO5)(OC(C)=O)[C@@]5([H])C[C@@H]6O)([H])[C@]6(C)C([C@@H]1O)=O.O. InChi Code: InChI=1S/C43H53NO14.H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45,/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52),1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+,/m0./s1. InChi Key: YWKYKORYUFJSCV-XKIQGVRMSA-N.