API reference
Docetaxel anhydrous
- CAS number
- 114977-28-5
- Molecular formula
- C43H53NO14
- Molecular weight
- 807.9 g/mol
About this molecule
Docetaxel is a semi-synthetic, second-generation taxane derived from a compound found in the European yew tree, Taxus baccata. Docetaxel displays potent and broad antineoplastic properties; it binds to and stabilizes tubulin, thereby inhibiting microtubule disassembly which results in cell- cycle arrest at the G2/M phase and cell death. This agent also inhibits pro-angiogenic factors such as vascular endothelial growth factor (VEGF) and displays immunomodulatory and pro-inflammatory properties by inducing various mediators of the inflammatory response. Docetaxel has been studied for use as a radiation-sensitizing agent. (NCI04)
Source: NCI Thesaurus (NCIt), via PubChem.
Identifiers
- 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
- InChIKey
- ZDZOTLJHXYCWBA-VCVYQWHSSA-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
- Other CAS numbers recorded
- 114915-20-7
- PubChem CID
- 148124
Also known as
docetaxel · Taxotere · Docetaxel anhydrous · Docetaxel Kabi · Docetaxel Winthrop · Docefrez · DOCETAXEL MYLAN · Docetaxel Teva
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