10-acetyl Docetaxel

10-acetyl Docetaxel is a derivative of paclitaxel (Cay-10461) and an inhibitor of microtubule depolymerization. It inhibits calcium-induced depolymerization of calf brain microtubule protein (MTP) in a cell-free assay when used at 20 µM. 10-acetyl Docetaxel is cytotoxic to J774.2 cells (EC50 = 0.05 µM).Formal Name: (alphaR,betaS)-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-benzenepropanoic acid, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester. CAS Number: 125354-16-7. Synonyms: PNU 101383, 10-acetyl Taxotere. Molecular Formula: C45H55NO15. Formula Weight: 849.9. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMF: 2 mg/ml, DMSO: 3 mg/ml, Ethanol: 10 mg/ml, PBS (pH 7.2): insol. lambdamax: 229 nm. SMILES: C[C@]1(C([C@@H](C2=C(C)[C@@H](OC([C@H](O)[C@@H](NC(OC(C)(C)C)=O)C3=CC=CC=C3)=O)C[C@]4(O)C2(C)C)OC(C)=O)=O)[C@@]([C@@H]4OC(C5=CC=CC=C5)=O)([H])[C@@]([C@@]6([H])C[C@@H]1O)(CO6)OC(C)=O. InChi Code: InChI=1S/C45H55NO15/c1-23-28(58-39(53)33(50)32(26-16-12-10-13-17-26)46-40(54)61-41(4,5)6)21-45(55)37(59-38(52)27-18-14-11-15-19-27)35-43(9,29(49)20-30-44(35,22-56-30)60-25(3)48)36(51)34(57-24(2)47)31(23)42(45,7)8/h10-19,28-30,32-35,37,49-50,55H,20-22H2,1-9H3,(H,46,54)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1. InChi Key: LEMYAXKYCOBYOJ-OAGWZNDDSA-N.