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Safety Information

SML2091

Sigma-Aldrich

Dalcetrapib

≥97% (HPLC)

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Synonym(s):
JTT-705, RO-4607381, S-[2-[[1-(2-ethylbutyl)cyclohexane]carbonylamino]phenyl]-2-methylpropanethioate
Empirical Formula (Hill Notation):
C23H35NO2S
CAS Number:
Molecular Weight:
389.59
MDL number:
UNSPSC Code:
12352200
NACRES:
NA.77

Assay

≥97% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

SMILES string

CC(C)C(SC1=CC=CC=C1NC(C2(CCCCC2)CC(CC)CC)=O)=O

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)

InChI key

YZQLWPMZQVHJED-UHFFFAOYSA-N

Biochem/physiol Actions

Dalcetrapib is a cholesteryl ester transfer protein (CETP) inhibitor. It increases HDL levels, but showed variable results on clinical outcomes. Clinical outcomes, effects on C-reactive protein and cholesterol efflux have been found to be genotype-dependent, influenced by correlated polymorphisms in the ADCY9 (adenylate cyclase type 9) gene. Positive results were obtained with AA genotype of ADCY9 gene whereas the GG genotype showed negative results and the AG genotype was neutral.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Jean-Claude Tardif et al.
Arteriosclerosis, thrombosis, and vascular biology, 37(3), 396-400 (2017-01-28)
High-density lipoproteins are involved in reverse cholesterol transport and possess anti-inflammatory and antioxidative properties. Paradoxically, CETP (cholesteryl ester transfer protein) inhibitors have been shown to increase inflammation as revealed by a raised plasma level of high-sensitivity C-reactive protein. CETP inhibitors
Marie-Jeanne Bertrand et al.
Expert opinion on emerging drugs, 22(1), 1-26 (2016-12-09)
Cardiovascular (CV) atherosclerotic disease remains the leading cause of morbidity and mortality worldwide, despite the advances in contemporary therapies. Inflammation is an important process in atherosclerosis, leading to plaque rupture and acute coronary syndrome. Although statin therapy has substantially reduced

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