loading...| Preferred Name |
cabazitaxel |
|
| Synonyms |
(2alpha,5beta,7beta,10beta,13alpha)-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 (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate cabazitaxel C45H57NO14 cabazitaxelum |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63584 |
|
| AHFScode |
10:00 |
|
| ATCCode |
L01CD04 |
|
| binds | ||
| CASRN |
183133-96-2 |
|
| DBBrand |
jevtana |
|
| DBname |
cabazitaxel |
|
| DBSynonym |
xrp6258 taxoid xrp6258 rpr-116258a rpr116258 txd258 |
|
| 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. |
|
| has pharmacological target | ||
| has role | ||
| 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 |
InChIKey=BMQGVNUXMIRLCK-OAGWZNDDSA-N |
|
| inhibits |
http://purl.obolibrary.org/obo/dinto_0883 http://purl.obolibrary.org/obo/dinto_2019 |
|
| is metabolised by |
http://purl.obolibrary.org/obo/dinto_2990 |
|
| is transported by | ||
| label |
cabazitaxel |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_8107 http://purl.obolibrary.org/obo/CHEBI_37924 http://purl.obolibrary.org/obo/dinto_DB00224 http://purl.obolibrary.org/obo/CHEBI_45304 http://purl.obolibrary.org/obo/CHEBI_8069 http://purl.obolibrary.org/obo/CHEBI_7494 http://purl.obolibrary.org/obo/dinto_DB01323 http://purl.obolibrary.org/obo/dinto_DB01167 http://purl.obolibrary.org/obo/CHEBI_63621 http://purl.obolibrary.org/obo/dinto_DB00582 http://purl.obolibrary.org/obo/CHEBI_3387 http://purl.obolibrary.org/obo/CHEBI_3732 http://purl.obolibrary.org/obo/CHEBI_45367 http://purl.obolibrary.org/obo/dinto_DB00503 http://purl.obolibrary.org/obo/CHEBI_27899 http://purl.obolibrary.org/obo/dinto_DB01026 http://purl.obolibrary.org/obo/CHEBI_28077 |
|
| prefixIRI |
obo2:CHEBI_63584 |
|
| prefLabel |
cabazitaxel |
|
| 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 [H][C@@](O)([C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1)C(=O)O[C@@]1([H])C[C@@]2(O)[C@@]([H])(OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@]4([H])C[C@]([H])(OC)[C@@]3(C)C(=O)[C@]([H])(OC)C(=C1C)C2(C)C)OC(C)=O |
|
| Synonym |
(2alpha,5beta,7beta,10beta,13alpha)-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 (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0^{3,10}.0^{4,7}]heptadec-13-en-2-yl benzoate cabazitaxel C45H57NO14 cabazitaxelum |
|
| xref |
CiteXplore:21448449 CiteXplore:21734586 CiteXplore:22048000 CiteXplore:22111007 KEGG DRUG:D09755 CiteXplore:21695098 CiteXplore:22229405 CiteXplore:21748753 ChEBI:63584 Wikipedia:http://en.wikipedia.org/wiki/Cabazitaxel Wikipedia:Cabazitaxel CiteXplore:21174534 PubChem Substance:99443289 CiteXplore:21463139 ChEMBL:775699 CiteXplore:21339064 Reaxys:14351224 PharmGKB:PA165958401 ChemSpider:8029779 DrugBank:DB06772 CASRN:183133-96-2 RxList:http://www.rxlist.com/jevtana-drug.htm CiteXplore:21461278 CiteXplore:21455038 PubChem Compound:9854073 CiteXplore:22079047 Drugs.com:http://www.drugs.com/pro/jevtana.html CiteXplore:21406025 National Drug Code Directory:0024-5824-11 CiteXplore:21770474 |
|
| subClassOf |