cabazitaxel (CHEBI:63584)

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CHEBI:63584 - cabazitaxel

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ChEBI ID	CHEBI:63584
ChEBI Name	cabazitaxel
Stars
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.
Last Modified	22 February 2017
Downloads	Molfile

Formula	C45H57NO14
Net Charge	0
Average Mass	835.944
Monoisotopic Mass	835.37791
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](OC)C[C@H]1OC[C@]12OC(C)=O)C3(C)C
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

Wikipedia

Roles Classification

Biological Role:	microtubule-stabilising agent Any substance that interacts with tubulin to promote polymerisation of microtubules.
Application:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
cabazitaxel	KEGG DRUG
cabazitaxelum	ChemIDplus
cabazitaxel	WHO MedNet
cabazitaxel	WHO MedNet

Manual Xrefs	Databases
D09755	KEGG DRUG
DB06772	DrugBank
Cabazitaxel	Wikipedia
4153	DrugCentral

Registry Numbers	Sources
Reaxys:14351224	Reaxys
CAS:183133-96-2	KEGG DRUG
CAS:183133-96-2	ChemIDplus

Citations