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Atglistatin 100mg

CAT: 0628-A13814-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A13814-100Size:100 mg
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CAS Number
1469924-27-3

Chemical Information

Atglistatin

Atglistatin is a biphenyl that is 1,1'-biphenyl substituted by (dimethylcarbamoyl)amino and dimethylamino groups at positions 3 and 4', respectively. It is a potent inhibitor of adipose triglyceride lipase activity (IC50 = 700nM). It has a role as an EC 3.1.1.3 (triacylglycerol lipase) inhibitor and a cardioprotective agent. It is a member of biphenyls, an aromatic amine, a member of ureas and a tertiary amino compound.

CAS Number1469924-27-3
PubChem CID71699712
IUPAC Name3-[3-[4-(dimethylamino)phenyl]phenyl]-1,1-dimethylurea
Molecular FormulaC17H21N3O
Molecular Weight283.37
XLogP3.3
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity335
SMILES
CN(C)C1=CC=C(C=C1)C2=CC(=CC=C2)NC(=O)N(C)C
InChI
InChI=1S/C17H21N3O/c1-19(2)16-10-8-13(9-11-16)14-6-5-7-15(12-14)18-17(21)20(3)4/h5-12H,1-4H3,(H,18,21)
InChIKey
AWOPBSAJHCUSAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Atglistatin
CAS: 1469924-27-3
CID: 71699712
Formula: C17H21N3O
MW: 283.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.37
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass283.168462302
Monoisotopic Mass283.168462302
Topological Polar Surface Area35.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity335
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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