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GPR40 agonist 7

CAT: 0013-GTR19235310-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235310-02Size:10 mg
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Description
Compound 1 (GPR40 agonist 7) is an orally bioavailable small molecule agonist of GPR40. It stimulates insulin and GLP-1 secretion, demonstrating in vivo hypoglycemic activity with an ED50 of 0.58 mg/kg, making it a useful research tool for studying diabetes and metabolic disorders.
CAS Number
1821647-46-4
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (C (O) =O) [C@@H]1N (C[C@H] (OCCCOC) [C@H]1C) C2=CC=C (O[C@H]3[C@H] (C) CN (CC3) C=4C=C (OC) N=CC4Cl) C=C2
Molecular Formula
C29H40ClN3O6
Molecular Weight
562.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GPR40 agonist 7
CAS Number1821647-46-4
PubChem CID118497286
IUPAC Name2-[(2S,3S,4R)-1-[4-[(3R,4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-(3-methoxypropoxy)-3-methylpyrrolidin-2-yl]acetic acid
Molecular FormulaC29H40ClN3O6
Molecular Weight562.1
XLogP4.9
Topological Polar Surface Area93.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity757
SMILES
C[C@@H]1CN(CC[C@H]1OC2=CC=C(C=C2)N3C[C@@H]([C@H]([C@@H]3CC(=O)O)C)OCCCOC)C4=CC(=NC=C4Cl)OC
InChI
InChI=1S/C29H40ClN3O6/c1-19-17-32(25-14-28(37-4)31-16-23(25)30)11-10-26(19)39-22-8-6-21(7-9-22)33-18-27(38-13-5-12-36-3)20(2)24(33)15-29(34)35/h6-9,14,16,19-20,24,26-27H,5,10-13,15,17-18H2,1-4H3,(H,34,35)/t19-,20+,24+,26-,27+/m1/s1
InChIKey
CEBGUURUAFCIGS-UAVGYUILSA-N
Chemical Structure
2D Structure
2D structure of GPR40 agonist 7
CAS: 1821647-46-4
CID: 118497286
Formula: C29H40ClN3O6
MW: 562.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.1
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass561.2605637
Monoisotopic Mass561.2605637
Topological Polar Surface Area93.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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