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GPR40 Activator 2

CAT: 0013-GTR19205730-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205730-02Size:50 mg
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Description
This small molecule is a potent and selective agonist of the GPR40 (FFAR1) receptor. It is a valuable research tool for studying free fatty acid receptor signaling in metabolic diseases, supporting both in vitro assays and in vivo models of diabetes and insulin secretion.
CAS Number
1312787-30-6
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
Cc1cc (OCCCS (C) (=O) =O) cc (C) c1-c1cccc (COc2ccc (cc2) -c2cc (=O) [nH]s2=O) c1
Molecular Formula
C28H29NO6S2
Molecular Weight
539.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GPR40 Activator 2
CAS Number1312787-30-6
PubChem CID67121842
IUPAC Name5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
Molecular FormulaC28H29NO6S2
Molecular Weight539.7
XLogP4.1
Topological Polar Surface Area126
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity925
SMILES
CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=CC=C(C=C3)C4=CC(=O)NS4=O)C)OCCCS(=O)(=O)C
InChI
InChI=1S/C28H29NO6S2/c1-19-14-25(34-12-5-13-37(3,32)33)15-20(2)28(19)23-7-4-6-21(16-23)18-35-24-10-8-22(9-11-24)26-17-27(30)29-36(26)31/h4,6-11,14-17H,5,12-13,18H2,1-3H3,(H,29,30)
InChIKey
AUYCNSCKGNAXFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GPR40 Activator 2
CAS: 1312787-30-6
CID: 67121842
Formula: C28H29NO6S2
MW: 539.7
Interactive 3D Structure
Loading 3D structure...
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Computed Properties
PropertyValue
Molecular Weight539.7
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass539.14362999
Monoisotopic Mass539.14362999
Topological Polar Surface Area126 Ų
Heavy Atom Count37
Formal Charge0
Complexity925
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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