loading...| Preferred Name |
trabectedin |
|
| Synonyms |
(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1^{3,11}.0^{2,13}.0^{4,9}.0^{15,23}.0^{16,20}]triacontane-26,1'-isoquinoline]-4(9),5,7,15(23),16(20),21-hexaen-22-yl acetate C39H43N3O11S |
|
| ID |
http://purl.obolibrary.org/obo/dinto_DB05109 |
|
| ATCCode |
L01CX01 |
|
| binds | ||
| CASRN |
114899-77-3 |
|
| DBBrand |
yondelis |
|
| DBSynonym |
nsc 684766 et-743 ecteinascidin 743 et743 ecteinascidin |
|
| Definition |
Trabectedin, also referred as ET-743 during its development, is a marine derived antitumoral agent discovered in the Carribean tunicate _Ecteinascidia turbinata_ and now produced synthetically. Trabectedin has a unique mechanism of action. It binds to the minor groove of DNA interfering with cell division and genetic transcription processes and DNA repair machinery. It is approved for use in Europe, Russia and South Korea for the treatment of advanced soft tissue sarcoma refractory to or unsuitable to receive anthracycline or ifosfamide chemotherapy. |
|
| has pharmacological target | ||
| InChI |
InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1 |
|
| InChIKey |
InChIKey=PKVRCIRHQMSYJX-AIFWHQITSA-N |
|
| is metabolised by |
http://purl.obolibrary.org/obo/dinto_2058 http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_0293 http://purl.obolibrary.org/obo/dinto_0291 |
|
| label |
trabectedin |
|
| prefixIRI |
obo2:dinto_DB05109 |
|
| prefLabel |
trabectedin |
|
| SMILES |
[H][C@@]12CC3=C(C(O)=C(OC)C(C)=C3)[C@@]([H])(N1C)[C@@]1([H])N([C@H]2O)[C@@]2([H])COC(=O)[C@]3(CS[C@]1([H])C1=C(OC(C)=O)C(C)=C4OCOC4=C21)NCCC1=CC(O)=C(OC)C=C31 |
|
| Synonym |
(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1^{3,11}.0^{2,13}.0^{4,9}.0^{15,23}.0^{16,20}]triacontane-26,1'-isoquinoline]-4(9),5,7,15(23),16(20),21-hexaen-22-yl acetate C39H43N3O11S |
|
| xref |
PubChem Substance:99443229 PubChem Compound:108150 PharmGKB:PA165958349 ChemSpider:97236 Wikipedia:http://en.wikipedia.org/wiki/Trabectedin |
|
| subClassOf |