JTC 801

JTC 801 is an antagonist of the nociceptin receptor (ORL1, Ki = 44.5 nM, IC50 = 94 nM) that is >100-, >100-, and >3-fold more selective for ORL1 over the related delta-, kappa-, and µ-opioid receptors, respectively. It demonstrates anti-nociceptive effects in acute pain models in mice upon oral administration at 1 mg/kg.Formal Name: N-(4-amino-2-methyl-6-quinolinyl)-2-[(4-ethylphenoxy)methyl]-benzamide, monohydrochloride. CAS Number: 244218-51-7. Molecular Formula: C26H25N3O2 . HCl. Formula Weight: 448.0. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, DMSO:PBS (pH 7.2)(1:5): 0.16 mg/ml, Ethanol: 20 mg/ml. lambdamax: 223, 270, 311, 341 nm. SMILES: CC1=NC2=CC=C(NC(C3=C(COC4=CC=C(CC)C=C4)C=CC=C3)=O)C=C2C(N)=C1.Cl. InChi Code: InChI=1S/C26H25N3O2.ClH/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25,/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30),1H. InChi Key: NQLIYKXNAXKMBL-UHFFFAOYSA-N.