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Chemical structure of hGPR91 antagonist 3

GC69223

hGPR91 antagonist 3

Also known as N-[[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide

hGPR91 antagonist 3 (Compound 5g) is an effective, selective, orally active hGPR91 (%F: 26) antagonist· The research on hGPR91 antagonist 3 has potential in hypertension, autoimmune diseases and retinal angiogenesis

ChemicalCAS1314796-31-0MW458.41FormulaC23H18F4N4O2
CAS number
1314796-31-0
Molecular weight
458.41
Formula
C23H18F4N4O2
Solubility
DMSO : 100 mg/mL (218·15 mM; ultrasonic and warming and heat to 80°C)
InChIKey
SWKGPCNQBPGWNX-UHFFFAOYSA-N
Catalogue number
GC69223
Brand
GLPBIO
Computed properties PubChem CID 53358901 · XLogP 4 · TPSA 80.9 Ų · H-bond donors 1
XLogP
4
TPSA
80.9 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
33

SMILES C1=CC2=C(N=C1)N=C(C=C2)CCCC(=O)NCC3=CC(=NO3)C4=CC(=C(C=C4)F)C(F)(F)F

Computed descriptors from PubChem (CID 53358901), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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