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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Id | http://purl.obolibrary.org/obo/CHEBI_63628
http://purl.obolibrary.org/obo/CHEBI_63628
|
|---|---|
| Preferred Name | tipranavir |
| Definitions |
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.
|
| Synonyms |
3'-((1R)-1-((6R)-5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6-propyl-2H-pyran-3-yl)propyl)-5-(trifluoromethyl)-2-pyridinesulfonanilide
tipranavir
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
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| 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. |
|---|---|
| label |
tipranavir
|
| prefLabel |
tipranavir
|
| database_cross_reference |
PMID:22096044
PMID:22258921
PMID:22007990
PMID:21825300
PMID:25017682
PMID:17620375
CAS:174484-41-4
KEGG:D08605
PMID:21576452
PMID:21571982
PMID:21871444
Reaxys:7698323
PMID:21041916
DrugBank:DB00932
PMID:20368406
See more
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|
| notation |
CHEBI:63628
|
| in_subset | |
| 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
|
| has_related_synonym |
3'-((1R)-1-((6R)-5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6-propyl-2H-pyran-3-yl)propyl)-5-(trifluoromethyl)-2-pyridinesulfonanilide
tipranavir
|
| id |
CHEBI:63628
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C31H33F3N2O5S
|
| subClassOf | |
| inchikey |
SUJUHGSWHZTSEU-FYBSXPHGSA-N
|
| mass |
602.66400
|
| monoisotopicmass |
602.20623
|
| type | |
| 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
|
| has role | |
| has_exact_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
|
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