| Identification | Back Directory | [Name]
JTT-705 | [CAS]
211513-37-0 | [Synonyms]
CS-259
JTT-705
RO4607381
Dalcetrapib
JTT705;JTT 705
Unii-3D050liq3h
JTT-705 USP/EP/BP
Dalcetrapib(JTT-705)
JTT-705 (Dalcetrapib)
EZSolution Dalcetrapib
Dalcetrapib(JTT-705),JTT705
Dalcetrapib (JTT-705, RO4607381)
S-2-(1-(2-ethylbutyl)cyclohexanecarboxamido)phenyl 2-methylpropanethioate
S-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-methylpropanethioate
2-Methylpropanethioic acid S-[2-[1-(2-ethylbutyl)cyclohexylcarboxamido]phenyl] ester
Thioisobutyric acid S-(2-{[1-(2-ethyl-butyl)-cyclohexanecarbonyl]-aMino}-phenyl) ester
Propanethioic acid, 2-methyl-, S-[2-[[[1-(2-ethylbutyl)cyclohexyl]carbonyl]amino]phenyl] ester
Dalcetrapib
2-Methylpropanethioic acid S-[2-[1-(2-ethylbutyl)cyclohexylcarboxamido]phenyl] ester
2-Methylpropanethioic acid S-[2-[1-(2-ethylbutyl)cyclohexylcarboxamido]phenyl] ester Dalcetrapib (JTT-705, RO4607381) | [Molecular Formula]
C23H35NO2S | [MDL Number]
MFCD06407886 | [MOL File]
211513-37-0.mol | [Molecular Weight]
389.59 |
| Chemical Properties | Back Directory | [Melting point ]
63-63.5 °C | [Boiling point ]
528.9±33.0 °C(Predicted) | [density ]
1.06±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Store in freezer, under -20°C | [solubility ]
insoluble in H2O; ≥12.7 mg/mL in DMSO; ≥80.2 mg/mL in EtOH | [form ]
solid | [pka]
13.95±0.70(Predicted) | [color ]
White to off-white | [InChI]
1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26) | [InChIKey]
YZQLWPMZQVHJED-UHFFFAOYSA-N | [SMILES]
CC(C)C(SC1=CC=CC=C1NC(C2(CCCCC2)CC(CC)CC)=O)=O |
| Hazard Information | Back Directory | [Uses]
Dalcetrapib is a cholesteryl ester transfer protein (CETP) inhibitor. Dalcetrapib is a drug undergoing trials for the treatment of cardiovascular disease, dyslipidemia, peripheral arterial disease (PA
D). | [Definition]
ChEBI: 2-methylpropanethioic acid S-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester is an anilide. | [Biological Activity]
cholesteryl ester transfer protein (cetp) is a plasma protein that transfers neutral lipids among the lipoproteins. its most important action is the exchange of cholesteryl esters in high-density lipoprotein (hdl) for triglycerides in very low-density lipoprotein. thus, cetp is a potentially atherogenic protein, and its atherogenicity has been supported by many studies. dalcetrapib is a novel inhibitors of cetp. | [in vitro]
dalcetrapib achieved 50% inhibition of cetp activity in human plasma at a concentration of 6 μm. the mechanism of action was considered to involve the formation of a disulfide bond between the thiol form of dalcetrapib and the cysteine residue at position 13 (cys13) of cetp. [1]. | [in vivo]
dalcetrapib achieved 95% inhibition of cetp activity in male japanese white rabbits at an oral dose of 30 mg/kg. it increased the plasma hdl cholesterol level by 27% and 54%, respectively, when given at oral doses of 30 or 100 mg/kg once a day for 3 days to male japanese white rabbits [1]. | [target]
rhCETP | [IC 50]
6 μm for cetp inhibition in human plasma | [References]
[1] shinkai h, maeda k, yamasaki t, okamoto h, uchida i. bis(2-(acylamino)phenyl) disulfides, 2-(acylamino)benzenethiols, and s-(2-(acylamino)phenyl) alkanethioates as novel inhibitors of cholesteryl ester transfer protein. j med chem. 2000;43(19):3566-72.
[2] fayad za, mani v, woodward m, kallend d, abt m, burgess t, fuster v, ballantyne cm, stein ea, tardif jc, rudd jh, farkouh me, tawakol a. safety and efficacy of dalcetrapib on atherosclerotic disease using novel non-invasive multimodality imaging (dal-plaque): a randomised |
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J & K SCIENTIFIC LTD.
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https://www.jkchemical.com |
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NCE Biomedical Co.,Ltd.
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