De-boc Cabazitaxel

CAS: 1638286-64-2

Ref. TR-D206000

Produktinformation

• Name: De-boc Cabazitaxel
• Synonyme: Benzenepropanoic acid, β-amino-α-hydroxy-, (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 ester, (αR,βS)- (ACI), (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 (αR,βS)-β-amino-α-hydroxybenzenepropanoate (ACI)
• Marke: TRC
• Beschreibung: Applications De-Boc 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)

Chemische Eigenschaften

• Molekulargewicht: 735.82
• Formel: C₄₀H₄₉NO₁₂
• Farbe/Form: Neat
• InChl: InChI=1S/C40H49NO12/c1-21-25(51-36(46)30(43)29(41)23-14-10-8-11-15-23)19-40(47)34(52-35(45)24-16-12-9-13-17-24)32-38(5,33(44)31(49-7)28(21)37(40,3)4)26(48-6)18-27-39(32,20-50-27)53-22(2)42/h8-17,25-27,29-32,34,43,47H,18-20,41H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,38+,39-,40+/m0/s1
• InChI Key: InChIKey=ONJGHPJYUCCBGB-KWIOUIIFSA-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)[C@H](O)[C@@H](N)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C