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ML262

CAT: 0804-HY-111180-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-111180-03Size:10 mg
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Description
ML262 is an inhibitor of hepatic lipid droplet formation (IC50=6.4 nM in murine AML-12 cells), which is associated with non-alcoholic fatty liver disease. ML-262 does not induce cytotoxicity (up to 33 μM) or inhibit fatty acid uptake (up to 50 μM) .
CAS Number
902502-82-3
UNSPSC
12352005
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ml262.html
Smiles
O=C(C1=CC(C2=CC=CC=C2)=C(N3CCOCC3)S1)NCCC4=CC=C(OCC)C(OCC)=C4
Molecular Formula
C27H32N2O4S
Molecular Weight
480.62
References & Citations
[1]Zou, et al. Potent inhibitors of lipid droplet formation. 1-17 (2011) .
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CAS Number902502-82-3
PubChem CID20855303
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
Molecular FormulaC27H32N2O4S
Molecular Weight480.6
XLogP5.6
Topological Polar Surface Area88.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity611
SMILES
CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4)OCC
InChI
InChI=1S/C27H32N2O4S/c1-3-32-23-11-10-20(18-24(23)33-4-2)12-13-28-26(30)25-19-22(21-8-6-5-7-9-21)27(34-25)29-14-16-31-17-15-29/h5-11,18-19H,3-4,12-17H2,1-2H3,(H,28,30)
InChIKey
XJRACSVZNIKMPG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-(3,4-diethoxyphenyl)ethyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CAS: 902502-82-3
CID: 20855303
Formula: C27H32N2O4S
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass480.20827868
Monoisotopic Mass480.20827868
Topological Polar Surface Area88.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity611
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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