Docetaxel-d9

• CAT Number: R007230
• CAS Number: 940867-25-4
• Purity: ≥95%
• Synonyms: (αR,βS)-β-[[(1,1-Dimethylethoxy-d9)carbonyl]amino]-α-hydroxybenzenepropanoic Acid (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-m
• Target: Cytoskeleton
• Storage: -20°C
• IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]oxycarbonylamino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
• InChI: InChI=1S/C43H53NO14/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)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1/i3D3,4D3,5D3
• InChIKey: ZDZOTLJHXYCWBA-ZYSSTJHRSA-N
• SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])OC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)C6=CC=CC=C6)O)O

Docetaxel-d9 is a deuterated form of docetaxel, featuring nine deuterium atoms incorporated into its molecular structure. This high-purity isotopically labeled compound is crucial for advanced research in oncology, pharmacokinetics, and drug metabolism. Docetaxel-d9 is particularly valuable for studying the metabolic pathways, pharmacokinetics, and therapeutic efficacy of docetaxel, a widely used chemotherapy drug in the treatment of various cancers. The deuterium labeling allows for precise tracking and quantification in biological systems, enhancing the accuracy of mass spectrometric analyses and enabling detailed investigations into the drug’s distribution, metabolism, and excretion. This compound is an essential tool for researchers focused on optimizing cancer treatment regimens, drug development, and therapeutic monitoring, providing reliable and consistent results in various experimental settings.