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Lecimibide

CAT: 0013-GTR19199028-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199028-06Size:100 mg
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Description
Lecimibide (DuP 128) is a potent, selective ACAT inhibitor used to investigate cholesterol metabolism. It serves as a key research tool for studying atherosclerosis and hyperlipidemia in both cellular assays and animal models.
CAS Number
130804-35-2
Product Name Alternative
Lecimibide, ACAT, DuP128, DuP-128, DuP 128
Field of Research
Metabolism Research
Purity
98.10% (May vary between batches)
Solubility
DMSO:55 mg/mL (93.1 mM)
Smiles
S (CCCCCN (C (NC1=C (F) C=C (F) C=C1) =O) CCCCCCC) C=2NC (=C (N2) C3=CC=CC=C3) C4=CC=CC=C4
Molecular Formula
C34H40F2N4OS
Molecular Weight
590.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lecimibide

Lecimibide is a small molecule drug. Lecimibide has a monoisotopic molecular weight of 590.29 Da.

CAS Number130804-35-2
PubChem CID71355
IUPAC Name3-(2,4-difluorophenyl)-1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptylurea
Molecular FormulaC34H40F2N4OS
Molecular Weight590.8
XLogP9.3
Topological Polar Surface Area86.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Heavy Atom Count42
Formal Charge0
Complexity751
SMILES
CCCCCCCN(CCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)F)F
InChI
InChI=1S/C34H40F2N4OS/c1-2-3-4-5-13-22-40(34(41)37-30-21-20-28(35)25-29(30)36)23-14-8-15-24-42-33-38-31(26-16-9-6-10-17-26)32(39-33)27-18-11-7-12-19-27/h6-7,9-12,16-21,25H,2-5,8,13-15,22-24H2,1H3,(H,37,41)(H,38,39)
InChIKey
TVXOXGBTADZYCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lecimibide
CAS: 130804-35-2
CID: 71355
Formula: C34H40F2N4OS
MW: 590.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.8
XLogP39.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count16
Exact Mass590.28908941
Monoisotopic Mass590.28908941
Topological Polar Surface Area86.3 Ų
Heavy Atom Count42
Formal Charge0
Complexity751
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775375Lecimibide

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