CHEBI:63584 - cabazitaxel

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ChEBI Name cabazitaxel ChEBI ID CHEBI:63584 Definition 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anonymous Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C45H57NO14 Net Charge 0 Average Mass 835.93240 Monoisotopic Mass 835.37791 InChI InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1 InChIKey BMQGVNUXMIRLCK-OAGWZNDDSA-N SMILES [H][C@]12[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]1(C)[C@H](C[C@H]1OC[C@@]21OC(C)=O)OC)C3(C)C Roles Classification Biological Role(s): microtubule-stabilising agent Any substance that interacts with tubulin to promote polymerisation of microtubules. Application(s): antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. View more via ChEBI Ontology ChEBI Ontology Outgoing cabazitaxel (CHEBI:63584) has functional parent 10-deacetylbaccatin III (CHEBI:18193) cabazitaxel (CHEBI:63584) has role antineoplastic agent (CHEBI:35610) cabazitaxel (CHEBI:63584) has role microtubule-stabilising agent (CHEBI:61950) cabazitaxel (CHEBI:63584) is a tetracyclic diterpenoid (CHEBI:52557) IUPAC Name (2α,5β,7β,10β,13α)-4-acetoxy-13-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1-hydroxy-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate INNs Sources cabazitaxel KEGG DRUG cabazitaxel WHO MedNet cabazitaxel WHO MedNet cabazitaxelum ChemIDplus Manual Xrefs Databases 4153 DrugCentral Cabazitaxel Wikipedia D09755 KEGG DRUG DB06772 DrugBank View more database links Registry Numbers Types Sources 14351224 Reaxys Registry Number Reaxys 183133-96-2 CAS Registry Number KEGG DRUG 183133-96-2 CAS Registry Number ChemIDplus Citations Types Sources 21174534 PubMed citation Europe PMC 21339064 PubMed citation Europe PMC 21406025 PubMed citation Europe PMC 21448449 PubMed citation Europe PMC 21455038 PubMed citation Europe PMC 21461278 PubMed citation Europe PMC 21463139 PubMed citation Europe PMC 21695098 PubMed citation Europe PMC 21734586 PubMed citation Europe PMC 21748753 PubMed citation Europe PMC 21770474 PubMed citation Europe PMC 22048000 PubMed citation Europe PMC 22079047 PubMed citation Europe PMC 22111007 PubMed citation Europe PMC 22229405 PubMed citation Europe PMC Last Modified 22 February 2017