Oxazolidine Cabazitaxel

CAS: 1373171-12-0

Ref. TR-O846530

Product Information

• Name: Oxazolidine Cabazitaxel
• Synonyms: 3,5-Oxazolidinedicarboxylic acid, 2,2-dimethyl-4-phenyl-, 5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) ester, (4S,5R)- (ACI), 5-[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl] 3-(1,1-dimethylethyl) (4S,5R)-2,2-dimethyl-4-phenyl-3,5-oxazolidinedicarboxylate (ACI), 4-Acetoxy-2a-benzoyloxy-5ß-20-epoxy-1-hydroxy-9-oxo-7ß,10ß-dimethoxy-11-taxen-13-yl (4S,5R)-3-(tert-butylcarbonyl)-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylate
• CAS: 1373171-12-0

Description

Applications Oxazolidine Cabazitaxel is an impurity of Cabazitaxel (C046500) which is a novel semi-synthetic taxane with antitumor activity used for the treatment of castration-resistant prostate cancer.
References Agarwal, N. et al.: Fut. Oncol., 7, 15 (2011); Mita, A. et al.: Clin. Cancer Res., 15, 723 (2009); Figg, W.D. et al.: Cancer Biol. Ther., 10, 1233 (2010);

• Brand: TRC

Chemical properties

• Molecular weight: 875.996
• Formula: C₄₈H₆₁NO₁₄
• Color/Form: Neat
• InChI: InChI=1S/C48H61NO14/c1-26-30(59-41(53)36-34(28-19-15-13-16-20-28)49(45(8,9)62-36)42(54)63-43(3,4)5)24-48(55)39(60-40(52)29-21-17-14-18-22-29)37-46(10,38(51)35(57-12)33(26)44(48,6)7)31(56-11)23-32-47(37,25-58-32)61-27(2)50/h13-22,30-32,34-37,39,55H,23-25H2,1-12H3/t30-,31-,32+,34-,35+,36+,37-,39-,46+,47-,48+/m0/s1
• InChI key: InChIKey=WGEFOIHAXGTXJE-FACJWGQGSA-N
• SMILES: CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)C4OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]4c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C