13-{[(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl}-10-deacetyl Baccatin III

CAS: 159262-93-8

Ref. TR-D648490

Información del producto

• Nombre: 13-{[(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl}-10-deacetyl Baccatin III
• Sinónimos: 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-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]ben

Descripción

Applications 13-{[(3-N-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl}-10-deacetyl Baccatin III 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);

• Marca: TRC

Propiedades químicas

• Peso molecular: 847.943
• Fórmula: C₄₆H₅₇NO₁₄
• Color/Forma: Neat
• InChI: InChI=1S/C46H57NO14/c1-24-28(57-39(53)34-32(26-17-13-11-14-18-26)47(43(8,9)60-34)40(54)61-41(3,4)5)22-46(55)37(58-38(52)27-19-15-12-16-20-27)35-44(10,36(51)33(50)31(24)42(46,6)7)29(49)21-30-45(35,23-56-30)59-25(2)48/h11-20,28-30,32-35,37,49-50,55H,21-23H2
• Clave InChI: InChIKey=CIUBIUNKJIOPPY-AQNKROMASA-N
• SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)C4OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]4c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C