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AS2575959 (sodium)

CAT: 0804-HY-123871Size: 1 EachDry Ice: NoHazardous: No
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Description
AS2575959 (sodium) is an agonist of GPR40. AS2575959 (sodium) can enhance glucose metabolism and has synergic effect with Sitagliptin on insulin as well as incretin secretion. AS2575959 (sodium) can be studied in research on type 2 diabetes[1].
CAS Number
1616871-34-1
UNSPSC
12352005
Target
Free Fatty Acid Receptor
Related Pathways
GPCR/G Protein
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Smiles
O=C(O[Na])C[C@@H]1C2(CC2)OC3=CC(OCC4=C(C)C(C5=C(C)C=C(OCC[C@H](O)CO)C=C5C)=CC=C4)=CC=C13
Molecular Formula
C32H35NaO7
Molecular Weight
554.61
References & Citations
[1]Tanaka, H., et al., (2014) . Novel GPR40 agonist AS2575959 exhibits glucose metabolism improvement and synergistic effect with sitagliptin on insulin and incretin secretion. Life sciences, 94 (2), 115-121.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

sodium 2-[(3S)-6-[[3-[4-[(3S)-3,4-dihydroxybutoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[3H-1-benzofuran-2,1'-cyclopropane]-3-yl]acetate
CAS Number1616871-34-1
PubChem CID102502601
IUPAC Namesodium 2-[(3S)-6-[[3-[4-[(3S)-3,4-dihydroxybutoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[3H-1-benzofuran-2,1'-cyclopropane]-3-yl]acetate
Molecular FormulaC32H35NaO7
Molecular Weight554.6
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity809
SMILES
CC1=CC(=CC(=C1C2=CC=CC(=C2C)COC3=CC4=C(C=C3)[C@@H](C5(O4)CC5)CC(=O)[O-])C)OCC[C@@H](CO)O.[Na+]
InChI
InChI=1S/C32H36O7.Na/c1-19-13-25(37-12-9-23(34)17-33)14-20(2)31(19)26-6-4-5-22(21(26)3)18-38-24-7-8-27-28(16-30(35)36)32(10-11-32)39-29(27)15-24;/h4-8,13-15,23,28,33-34H,9-12,16-18H2,1-3H3,(H,35,36);/q;+1/p-1/t23-,28-;/m0./s1
InChIKey
NGFWMCDEBFWIIP-DVASCVOVSA-M
Chemical Structure
2D Structure
2D structure of sodium 2-[(3S)-6-[[3-[4-[(3S)-3,4-dihydroxybutoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[3H-1-benzofuran-2,1'-cyclopropane]-3-yl]acetate
CAS: 1616871-34-1
CID: 102502601
Formula: C32H35NaO7
MW: 554.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight554.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass554.22804773
Monoisotopic Mass554.22804773
Topological Polar Surface Area108 Ų
Heavy Atom Count40
Formal Charge0
Complexity809
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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