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Evacetrapib

Evacetrapib structure

CAS No:
1186486-62-3
Formula:
C31H36F6N6O2
Chemical Name:
Evacetrapib
Synonyms:
Cyclohexanecarboxylic acid,4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]-,trans-;trans-4-[[(5S)-5-[[[3,5-Bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3,4,5-tetrahydro-7,9-dimethyl-1H-1-benzazepin-1-yl]methyl]cyclohexanecarboxylic acid;Evacetrapib
Categories:
Biochemical Engineering > Inhibitors

Description

Evacetrapib is a potent and selective of CETP inhibitor, which inhibits human recombinant CETP protein (IC50 5.5 nM) and CETP activity in human plasma (IC50 36 nM) in vitro.

Evacetrapib has been used in trials studying the basic science and treatment of Dyslipidemia, Hyperlipidemia, Hypercholesterolemia, Hepatic Insufficiency, and Cardiovascular Disease.

Evacetrapib Basic Attributes

Molecular Weight：

638.66

Exact Mass：

638.65

UNII：

51XWV9K850

Characteristics

PSA：

87.4

XLogP3：

7.7

Density：

1.4

Boiling Point：

680.1±65.0 °C(Predicted)

Flash Point：

365.1±34.3 °C

Refractive Index：

1.598

Safety Information

GHS Classification：

|Warning|H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P273, P281, P308+P313, P391, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

Drug Indication：

Treatment of hypercholesterolaemia, Treatment of hypo-high-density-lipoprotein-cholesterolaemia

MeSH：

Substances used to lower plasma cholesterol levels. (See all compounds classified as Anticholesteremic Agents.)

MeSH Entry Terms：

evacetrapib

Evacetrapib Use and Manufacturing

Use Classification：

Human Drugs -> EU pediatric investigation plans

Computed Properties

Molecular Weight:638.6
XLogP3:7.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:7
Exact Mass:638.28039338
Monoisotopic Mass:638.28039338
Topological Polar Surface Area:87.4
Heavy Atom Count:45
Complexity:973
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes