loading...| Preferred Name |
tipranavir |
|
| Synonyms |
N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide 3'-((1R)-1-((6R)-5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6-propyl-2H-pyran-3-yl)propyl)-5-(trifluoromethyl)-2-pyridinesulfonanilide C31H33F3N2O5S N-{3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide tipranavir |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63628 |
|
| AHFScode |
08:18.08.08 |
|
| ATCCode |
J05AE09 |
|
| binds |
http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_3326 |
|
| CASRN |
174484-41-4 |
|
| DBBrand |
aptivus aptivus (boehringer ingelheim) |
|
| DBname |
tipranavir |
|
| DBSynonym |
tpv |
|
| Definition |
A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor. |
|
| has effect |
http://purl.obolibrary.org/obo/OAE_0000388 http://purl.obolibrary.org/obo/OAE_0000496 http://purl.obolibrary.org/obo/OAE_0000424 http://purl.obolibrary.org/obo/OAE_0000453 http://purl.obolibrary.org/obo/OAE_0000377 http://purl.obolibrary.org/obo/OAE_0000391 http://purl.obolibrary.org/obo/OAE_0000839 http://purl.obolibrary.org/obo/OAE_0001707 http://purl.obolibrary.org/obo/OAE_0000195 http://purl.obolibrary.org/obo/OAE_0000545 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000418 http://purl.obolibrary.org/obo/OAE_0000319 http://purl.obolibrary.org/obo/OAE_0001448 http://purl.obolibrary.org/obo/OAE_0000359 http://purl.obolibrary.org/obo/OAE_0000382 http://purl.obolibrary.org/obo/OAE_0001025 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000310 http://purl.obolibrary.org/obo/OAE_0001365 http://purl.obolibrary.org/obo/OAE_0000476 http://purl.obolibrary.org/obo/OAE_0000518 http://purl.obolibrary.org/obo/OAE_0001026 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000375 http://purl.obolibrary.org/obo/OAE_0000455 http://purl.obolibrary.org/obo/OAE_0000100 http://purl.obolibrary.org/obo/OAE_0001014 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0002206 http://purl.obolibrary.org/obo/OAE_0000243 http://purl.obolibrary.org/obo/OAE_0001164 http://purl.obolibrary.org/obo/OAE_0000034 http://purl.obolibrary.org/obo/OAE_0000508 http://purl.obolibrary.org/obo/OAE_0001403 http://purl.obolibrary.org/obo/OAE_0000536 http://purl.obolibrary.org/obo/OAE_0000647 http://purl.obolibrary.org/obo/OAE_0000468 http://purl.obolibrary.org/obo/OAE_0000602 http://purl.obolibrary.org/obo/OAE_0001147 http://purl.obolibrary.org/obo/OAE_0001052 http://purl.obolibrary.org/obo/OAE_0001217 http://purl.obolibrary.org/obo/OAE_0000396 http://purl.obolibrary.org/obo/OAE_0000390 http://purl.obolibrary.org/obo/OAE_0000362 http://purl.obolibrary.org/obo/OAE_0001128 http://purl.obolibrary.org/obo/OAE_0000296 http://purl.obolibrary.org/obo/OAE_0000501 http://purl.obolibrary.org/obo/OAE_0000374 http://purl.obolibrary.org/obo/OAE_0000462 |
|
| has pharmacological target | ||
| has role | ||
| InChI |
InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1 InChI=1S/C31H33F3N2O5S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,36,38H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1 |
|
| InChIKey |
InChIKey=NZPXPXAGXYTROM-FYBSXPHGSA-N InChIKey=SUJUHGSWHZTSEU-FYBSXPHGSA-N |
|
| inhibits |
http://purl.obolibrary.org/obo/dinto_2993 http://purl.obolibrary.org/obo/dinto_3326 |
|
| is metabolised by |
http://purl.obolibrary.org/obo/dinto_2993 |
|
| is substrate of |
http://purl.obolibrary.org/obo/dinto_2993 |
|
| label |
tipranavir |
|
| prefixIRI |
obo2:CHEBI_63628 |
|
| prefLabel |
tipranavir |
|
| SMILES |
CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1 CCC[C@@]1(CCC2=CC=CC=C2)CC(=O)C([C@H](CC)C2=CC(NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=CC=C2)=C(O)O1 |
|
| Synonym |
N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide 3'-((1R)-1-((6R)-5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6-propyl-2H-pyran-3-yl)propyl)-5-(trifluoromethyl)-2-pyridinesulfonanilide C31H33F3N2O5S N-{3-[(1R)-1-[(2R)-6-hydroxy-4-oxo-2-(2-phenylethyl)-2-propyl-3,4-dihydro-2H-pyran-5-yl]propyl]phenyl}-5-(trifluoromethyl)pyridine-2-sulfonamide tipranavir |
|
| xref |
CiteXplore:21825300 CiteXplore:22007990 CiteXplore:22258921 PharmGKB:PA163522473 CiteXplore:21041916 Wikipedia:http://en.wikipedia.org/wiki/Tipranavir ChEMBL:472438 CiteXplore:21871444 Drugs.com:http://www.drugs.com/cdi/tipranavir.html Reaxys:7698323 CiteXplore:22096044 CiteXplore:17620375 BindingDB:558 CiteXplore:20368406 PubChem Substance:46506257 RxList:http://www.rxlist.com/cgi/generic/aptivus.htm ChemSpider:58539 Drugs Product Database (DPD):2273322 PubChem Compound:65027 PDB:TPV CiteXplore:21576452 DrugBank:DB00932 CiteXplore:21571982 CASRN:174484-41-4 KEGG DRUG:D08605 |
|
| subClassOf |