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SM-32504

CAT: 0804-HY-114952Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-114952Size:1 Each
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Description
SM-32504 is an effective ACAT inhibitor that can significantly reduce serum cholesterol levels in mouse models fed with high-fat and high-cholesterol diets. SM-32504 can be used for research on hypercholesterolemia and atherosclerosis[1].
CAS Number
185539-34-8
UNSPSC
12352005
Target
Acyltransferase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/sm-32504.html
Smiles
O=C(NC1=C(C(C)C)C=CC=C1C(C)C)NC2=C(C3=CC(OC)=CC=C3)C4=C(N=CC=C4)N(CCCC)C2=O
Molecular Formula
C32H38N4O3
Molecular Weight
526.67
References & Citations
[1]Ohnuma S, et al. Synthesis and structure–activity relationship studies on a novel series of naphthylidinoylureas as inhibitors of acyl-CoA: cholesterol O-acyltransferase (ACAT) [J]. Bioorganic & medicinal chemistry letters, 2004, 14 (5) : 1309-1311.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-[2,6-Bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea
CAS Number185539-34-8
PubChem CID9893095
IUPAC Name1-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
Molecular FormulaC32H38N4O3
Molecular Weight526.7
XLogP6.2
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count39
Formal Charge0
Complexity855
SMILES
CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=CC=C3C(C)C)C(C)C)C4=CC(=CC=C4)OC
InChI
InChI=1S/C32H38N4O3/c1-7-8-18-36-30-26(16-11-17-33-30)27(22-12-9-13-23(19-22)39-6)29(31(36)37)35-32(38)34-28-24(20(2)3)14-10-15-25(28)21(4)5/h9-17,19-21H,7-8,18H2,1-6H3,(H2,34,35,38)
InChIKey
ORFMGXFFDRWECM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[2,6-Bis(propan-2-yl)phenyl]-3-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]urea
CAS: 185539-34-8
CID: 9893095
Formula: C32H38N4O3
MW: 526.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.7
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass526.29439109
Monoisotopic Mass526.29439109
Topological Polar Surface Area83.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity855
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

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