CABAZITAXEL
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular Identity
CABAZITAXEL
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
PubChem CID: 9854073
Cabazitaxel is a tetracyclic diterpenoid that is 10-deacetylbaccatin III having O-methyl groups attached at positions 7 and 10 as well as an O-(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl group attached at position 13. Acts as a microtubule inhibitor, binds tubulin and promotes microtubule assembly and simultaneously inhibits disassembly. It has a role as an antineoplastic agent and a microtubule-stabilising agent. It is functionally related to a 10-deacetylbaccatin III.
2D Structure
Properties
C45H57NO14
Molecular Formula
835.90
Molecular Weight
g/mol
835.3779
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
202
TPSA
May have limited oral absorption
3
H-Bond Donors
14
H-Bond Acceptors
1690
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
CABAZITAXEL183133-96-2JevtanaTaxoid XRP6258Xrp6258CabazitaxelumXRP-6258TXD 258Jevtana KitTXD258Cabazitaxel InjectionXRP 6258kabazitaxelNSC-761432TXD-258
Data from PubChem (NCBI)
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Trials and conditions connected to CABAZITAXEL
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