NIBR189

• CAT Number: I002030
• CAS Number: 1599432-08-2
• Molecular Formula: C21H21BrN2O3
• Molecular Weight: 429.30
• Purity: ≥95%
• Synonyms: (E)-3-(4-bromophenyl)-1-(4-(4-methoxybenzoyl)piperazin-1-yl)prop-2-en-1-one
• Target: GPCR/G Protein
• Solubility: DMSO: ≥ 47 mg/mL
• Storage: Desiccate at -20C
• IC50: 16/11 nM(Binding/Functional IC50) [1]
• IUPAC Name: (E)-3-(4-bromophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
• InChI: 1S/C21H21BrN2O3/c1-27-19-9-5-17(6-10-19)21(26)24-14-12-23(13-15-24)20(25)11-4-16-2-7-18(22)8-3-16/h2-11H,12-15H2,1H3/b11-4+
• InChIKey: OFHXXBRBGWUOHR-NYYWCZLTSA-N
• SMILES: COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)Br

NIBR189 (Cat No.: I002030) is a selective and potent antagonist of the G protein-coupled receptor GPR35, which is implicated in various physiological and pathological processes, including inflammation, pain, and gastrointestinal function. By blocking GPR35, NIBR189 is used in preclinical research to investigate the receptor’s role in immune modulation and inflammatory diseases such as ulcerative colitis and irritable bowel syndrome. Its high specificity and oral bioavailability make it a valuable tool for target validation and the development of novel therapies targeting GPR35-related disorders.

Reference

[1]. Gessier F, et al. Identification and characterization of small molecule modulators of the Epstein-Barr virus-induced gene 2 (EBI2) receptor. J Med Chem. 2014 Apr 24;57(8):3358-68.