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AP5

CAT: 0013-GTR19204444-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204444-01Size:25 mg
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Description
AP5 is a potent and selective GPR40 receptor AgoPAM, exhibiting an EC50 of 0.49 nM in rat hIP1 assays. This small molecule is a valuable research tool for investigating GPR40's role in insulin secretion and glucose homeostasis, applicable in both in vitro and in vivo metabolic disease models.
CAS Number
1623194-37-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
[C@@H] ([C@@H] (C (O) =O) C) (C=1C=C2C (=CC1) CC[C@H] (O2) C3=C (F) C=C (C=C3) C=4C=C (OC) N=CC4) [C@H]5CC5
Molecular Formula
C28H28FNO4
Molecular Weight
461.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

GPR40 AgoPAM AP5
CAS Number1623194-37-5
PubChem CID134817229
IUPAC Name(2R,3S)-3-cyclopropyl-3-[(2R)-2-[2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-3,4-dihydro-2H-chromen-7-yl]-2-methylpropanoic acid
Molecular FormulaC28H28FNO4
Molecular Weight461.5
XLogP6
Topological Polar Surface Area68.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity702
SMILES
C[C@H]([C@H](C1CC1)C2=CC3=C(CC[C@@H](O3)C4=C(C=C(C=C4)C5=CC(=NC=C5)OC)F)C=C2)C(=O)O
InChI
InChI=1S/C28H28FNO4/c1-16(28(31)32)27(18-4-5-18)21-6-3-17-8-10-24(34-25(17)14-21)22-9-7-19(13-23(22)29)20-11-12-30-26(15-20)33-2/h3,6-7,9,11-16,18,24,27H,4-5,8,10H2,1-2H3,(H,31,32)/t16-,24-,27-/m1/s1
InChIKey
ABSKJGYIWZMOAF-FLFAQTGJSA-N
Chemical Structure
2D Structure
2D structure of GPR40 AgoPAM AP5
CAS: 1623194-37-5
CID: 134817229
Formula: C28H28FNO4
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass461.20023654
Monoisotopic Mass461.20023654
Topological Polar Surface Area68.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity702
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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