CHEBI:49203 - torcetrapib

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ChEBI Name torcetrapib
ChEBI ID CHEBI:49203
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H25F9N2O4
Net Charge 0
Average Mass 600.47330
Monoisotopic Mass 600.167
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
SMILES CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)OC)c2cc(ccc12)C(F)(F)F
Roles Classification
Biological Role(s): 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).
Application(s): anticholesteremic drug
A substance used to lower plasma cholesterol levels.
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ChEBI Ontology
Outgoing torcetrapib (CHEBI:49203) has role anticholesteremic drug (CHEBI:35821)
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 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
Synonym Source
(2R,4S)-4-((3,5-bis-trifluoromethylbenzyl)methoxycarbonylamino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester ChEBI
Manual Xref Database
D06195 KEGG DRUG
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Registry Number Type Source
262352-17-0 CAS Registry Number ChemIDplus
Last Modified
11 November 2014