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GPBAR-A

CAT: 0013-GTR19264841-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264841-05Size:50 mg
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Description
GPBAR-A is a synthetic small-molecule agonist of GPBAR1, also known as TGR5, that activates this G protein–coupled bile acid receptor involved in energy homeostasis, glucose metabolism, and immune regulation, GPBAR-A is extensively studied for its therapeutic potential in metabolic disorders such as type 2 diabetes, obesity, and inflammation-related diseases.
CAS Number
877052-79-4
Field of Research
Pharmacology & Drug Discovery
Purity
99.99% (May vary between batches)
Smiles
O=C1N (CC=2C=C (C=C (C2) C (F) (F) F) C (F) (F) F) CC=3C (=NC=CC3C=4C=CC=CC4F) OC1
Molecular Formula
C23H15F7N2O2
Molecular Weight
484.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Gpbar-A
CAS Number877052-79-4
PubChem CID11656002
IUPAC Name4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-6-(2-fluorophenyl)-5H-pyrido[3,2-f][1,4]oxazepin-3-one
Molecular FormulaC23H15F7N2O2
Molecular Weight484.4
XLogP5.2
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity694
SMILES
C1C2=C(C=CN=C2OCC(=O)N1CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4F
InChI
InChI=1S/C23H15F7N2O2/c24-19-4-2-1-3-17(19)16-5-6-31-21-18(16)11-32(20(33)12-34-21)10-13-7-14(22(25,26)27)9-15(8-13)23(28,29)30/h1-9H,10-12H2
InChIKey
ZIXNJVGTAXRKAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gpbar-A
CAS: 877052-79-4
CID: 11656002
Formula: C23H15F7N2O2
MW: 484.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.4
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass484.10217486
Monoisotopic Mass484.10217486
Topological Polar Surface Area42.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity694
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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Alternative Products

CatalogName
B5616-50GPBAR-A
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217831TGR5 Receptor Agonist, Cpd23g ((4-cyclopropyl-3,4-dihydroquinoxalin-1 (2H) -yl) (4- (2,5-dimethylphenoxy) pyridin-3-yl) methanone, Bile Acid Receptor GPBAR-1 Agonist, Bile Acid Receptor Agonist, G Protein-coupled Bile Acid Receptor 1 Agonist)

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