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BMS-309403 (sodium) (Standard)

CAT: 0804-HY-101903AR-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-101903AR-01Size:5 mg
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Description
BMS-309403 (sodium) (Standard) is the analytical standard of BMS-309403 (sodium) . This product is intended for research and analytical applications. BMS-309403 sodium is a potent, orally active, and selective adipocyte fatty acid binding protein (also known as FABP4, aP2) inhibitor, with Kis of [1][2][3].
CAS Number
2802523-05-1
UNSPSC
12352005
Target
FABP; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Metabolic Disease; Cardiovascular Disease
Smiles
O=C(O[Na])COC1=CC(C2=CC=CC=C2N3N=C(C4=CC=CC=C4)C(C5=CC=CC=C5)=C3CC)=CC=C1
Molecular Formula
C31H25N2NaO3
Molecular Weight
496.53
References & Citations
[1]Sulsky R, et al. Potent and selective biphenyl azole inhibitors of adipocyte fatty acid binding protein (aFABP) . Bioorg Med Chem Lett. 2007;17 (12) :3511-3515.|[2]Lin W, et al. BMS309403 stimulates glucose uptake in myotubes through activation of AMP-activated protein kinase. PLoS One. 2012;7 (8) :e44570.|[3]Lee MY, et al. Chronic administration of BMS309403 improves endothelial function in apolipoprotein E-deficient mice and in cultured human endothelial cells. Br J Pharmacol. 2011;162 (7) :1564-1576.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

BMS-309403 sodium
CAS Number2802523-05-1
PubChem CID155882742
IUPAC Namesodium 2-[3-[2-(5-ethyl-3,4-diphenylpyrazol-1-yl)phenyl]phenoxy]acetate
Molecular FormulaC31H25N2NaO3
Molecular Weight496.5
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count37
Formal Charge0
Complexity696
SMILES
CCC1=C(C(=NN1C2=CC=CC=C2C3=CC(=CC=C3)OCC(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5.[Na+]
InChI
InChI=1S/C31H26N2O3.Na/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35;/h3-20H,2,21H2,1H3,(H,34,35);/q;+1/p-1
InChIKey
NZLJLBNAOJOVBZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of BMS-309403 sodium
CAS: 2802523-05-1
CID: 155882742
Formula: C31H25N2NaO3
MW: 496.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass496.17628695
Monoisotopic Mass496.17628695
Topological Polar Surface Area67.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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