Evacetrapib

CAT: 0804-HY-13327-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No

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CAT#:0804-HY-13327-02Size:10 mM - 1 mL

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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.

CAS Number

1186486-62-3

Product Name Alternative

LY2484595

UNSPSC

12352005

Hazard Statement

H361, H400, H410

Target

CETP

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

COVID-19-immunoregulation

Field of Research

Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/Evacetrapib.html

Concentration

10mM

Purity

98.89

Solubility

DMSO : ≥ 100 mg/mL

Smiles

O=C([C@H]1CC[C@H](CN2CCC[C@H](N(CC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C4=NN(C)N=N4)C5=CC(C)=CC(C)=C52)CC1)O

Molecular Formula

C31H36F6N6O2

Molecular Weight

638.65

Precautions

H361, H400, H410

References & Citations

[1]Cao G, et al. Evacetrapib is a novel, potent, and selective inhibitor of cholesteryl ester transfer protein that elevates HDL cholesterol without inducing aldosterone or increasing blood pressure. J Lipid Res. 2011 Dec;52 (12) :2169-76.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Phase 3

Chemical Information

Evacetrapib

Evacetrapib is a benzazepine.

CAS Number	1186486-62-3
PubChem CID	49836058
IUPAC Name	4-[[(5S)-5-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-7,9-dimethyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl]methyl]cyclohexane-1-carboxylic acid
Molecular Formula	C31H36F6N6O2
Molecular Weight	638.6
XLogP	7.7
Topological Polar Surface Area	87.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	7
Heavy Atom Count	45
Formal Charge	0
Complexity	973

SMILES

CC1=CC(=C2C(=C1)[C@H](CCCN2CC3CCC(CC3)C(=O)O)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NN(N=N5)C)C

InChI

InChI=1S/C31H36F6N6O2/c1-18-11-19(2)27-25(12-18)26(5-4-10-42(27)16-20-6-8-22(9-7-20)28(44)45)43(29-38-40-41(3)39-29)17-21-13-23(30(32,33)34)15-24(14-21)31(35,36)37/h11-15,20,22,26H,4-10,16-17H2,1-3H3,(H,44,45)/t20?,22?,26-/m0/s1

InChIKey

IHIUGIVXARLYHP-UXNJHFGPSA-N

Chemical Structure

2D Structure

CAS: 1186486-62-3

CID: 49836058

Formula: C31H36F6N6O2

MW: 638.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
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 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	973
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
2558-5	Evacetrapib
S2925-5mg	Evacetrapib (LY2484595)
FE65020-01	Evacetrapib monohydrate

Evacetrapib

Chemical Information

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