Docetaxel Trihydrate

• CAT Number: A000116
• CAS Number: 148408-66-6
• Molecular Formula: C43H59NO17
• Molecular Weight: 861.93
• Purity: ≥95%
• Synonyms: RP56976 (NSC 628503) Trihydrate
• Target: Microtubule/Tubulin
• Solubility: >43.1mg/mL in DMSO
• Storage: Store at -20°C
• IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;trihydrate
• InChI: InChI=1S/C43H53NO14.3H2O/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);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1
• InChIKey: XCDIRYDKECHIPE-QHEQPUDQSA-N
• SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O

Docetaxel trihydrate（Cat No.:A000116）is an antineoplastic medication used in chemotherapy, primarily for treating various cancers, including breast, lung, and prostate cancer. It is a taxane derivative that works by inhibiting cell division, specifically disrupting microtubule function, which leads to apoptosis in rapidly dividing cancer cells. Administered intravenously, docetaxel is often part of combination therapies to enhance its efficacy. The trihydrate form provides improved solubility and stability, facilitating easier formulation for clinical use. Despite its effectiveness, it can cause side effects, including neutropenia and fatigue, necessitating careful monitoring.

Reference

1.Ringel, Israel, and Susan Band Horwitz. "Studies with RP 56976 (taxotere): a semisynthetic analogue of taxol." JNCI: Journal of the National Cancer Institute 83.4 (1991): 288-291.
2.Extra, Jean-Marc, et al. "Phase I and pharmacokinetic study of Taxotere (RP 56976; NSC 628503) given as a short intravenous infusion." Cancer research 53.5 (1993): 1037-1042.