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CHEBI:49203 - torcetrapib
| Formula | C26H25F9N2O4 |
| Net Charge | 0 |
| Average Mass | 600.478 |
| Monoisotopic Mass | 600.16706 |
| SMILES | CCOC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)OC)C[C@H]1CC |
| InChI | InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1 |
| InChIKey | CMSGWTNRGKRWGS-NQIIRXRSSA-N |
| Roles Classification |
|---|
| Biological Role: | CETP inhibitor Any inhibitor of cholesterylester transfer protein (CETP), which transfers cholesterol from high density lipoproteins (HDL, the 'good' cholesterol-containing particles) to low or very low density lipoproteins (LDL or VLDL, the 'bad' cholesterol-containing particles). Inhibition of this process results in higher HDL levels and lower LDL levels. CETP inhibitors are under investigation as potential drugs to reduce the risk of arteriosclerotic vascular disease (atherosclerosis). |
| Applications: | anticholesteremic drug A substance used to lower plasma cholesterol levels. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| torcetrapib (CHEBI:49203) has role anticholesteremic drug (CHEBI:35821) |
| torcetrapib (CHEBI:49203) has role cardiovascular drug (CHEBI:35554) |
| torcetrapib (CHEBI:49203) has role CETP inhibitor (CHEBI:49205) |
| torcetrapib (CHEBI:49203) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| torcetrapib (CHEBI:49203) is a carbamate ester (CHEBI:23003) |
| torcetrapib (CHEBI:49203) is a organic molecular entity (CHEBI:50860) |
| torcetrapib (CHEBI:49203) is a quinolines (CHEBI:26513) |
| IUPAC Name |
|---|
| ethyl (2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate |
| INN | Source |
|---|---|
| torcetrapib | WHO MedNet |
| Synonyms | Source |
|---|---|
| (2R,4S)-4-((3,5-bis-trifluoromethylbenzyl)methoxycarbonylamino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester | ChEBI |
| CP-529,414 | ChEMBL |
| CP-529414 | ChEMBL |
| Manual Xrefs | Databases |
|---|---|
| D06195 | KEGG DRUG |
| Registry Numbers | Sources |
|---|---|
| CAS:262352-17-0 | ChemIDplus |
| Citations |
|---|