hGPR91 antagonist 1

• CAT Number: I018708
• CAS Number: 1314796-00-3
• Molecular Formula: C31H23F4N3O
• Molecular Weight: 529.53
• Purity: ≥95%
• Synonyms: N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide
• InChI: InChI=1S/C31H23F4N3O/c1-19(21-8-10-22(11-9-21)25-12-14-27(32)26(18-25)31(33,34)35)37-29(39)17-20-4-6-23(7-5-20)28-15-13-24-3-2-16-36-30(24)38-28/h2-16,18-19H,17H2,1H3,(H,37,39)/t19-/m0/s1
• InChIKey: SSQLYMLUWZAJTK-IBGZPJMESA-N
• SMILES: CC(C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C(F)(F)F)NC(=O)CC3=CC=C(C=C3)C4=NC5=C(C=CC=N5)C=C4

hGPR91 antagonist 1 (Compound 4c) is a potent and selective GPR91 antagonist with an IC50 of 7 nM for human GPR91[1].
HGPR91 antagonist 1 (Compound 4c) leads to 59, 76% inhibition of ΔMAP at 2, 4 hours and has shown rat plasma protein binding 99%. HGPR91 antagonist 1 has engaged the target under the in vivo condition. HGPR91 antagonist 1 has clearance (CL) of 0.2 nmol/min/mg of RLM[1].

Reference

[1]. Bhuniya D, et al. Discovery of a potent and selective small molecule hGPR91 antagonist. Bioorg Med Chem Lett. 2011 Jun 15;21(12):3596-602.
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