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Chemical structure of TGR5 Receptor Agonist 4

GC75630

TGR5 Receptor Agonist 4

Also known as (2-methoxyphenyl)methyl (4S)-4-(6-chloro-3-pyridinyl)-6-methyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydropyridine-5-carboxylate

TGR5 Receptor Agonist 4 is an agonist of Bile Acid Receptor (TGR5), with EC50 for hTGR5 and mTGR5 of 2 nM and 3 nM, respectively

ChemicalCAS1872436-42-4MW470.95FormulaC25H27ClN2O5
CAS number
1872436-42-4
Molecular weight
470.95
Formula
C25H27ClN2O5
Solubility
DMSO: 100 mg/mL (212·34 mM; Need ultrasonic)
InChIKey
AARPMDPNSORGBN-UXHICEINSA-N
Catalogue number
GC75630
Brand
GLPBIO
Computed properties PubChem CID 118694559 · XLogP 3.3 · TPSA 78 Ų · H-bond donors 0
XLogP
3.3
TPSA
78 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
33

SMILES CC1=C([C@@H](CC(=O)N1C[C@H]2CCCO2)C3=CN=C(C=C3)Cl)C(=O)OCC4=CC=CC=C4OC

Computed descriptors from PubChem (CID 118694559), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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