GR89696 (fumarate)

GR89696 is a kappa-opioid receptor agonist. It inhibits twitch responses in isolated mouse vas deferens (IC50 = 0.12 nM), an effect that can be reversed by the kappa-opioid receptor antagonist norbinaltorphimine (nor-BNI). In vivo, GR89696 reduces acetylcholine-induced writhing in mice (ED50 = 0.0005 mg/kg). It reduces hippocampal neuronal loss in a gerbil model of cerebral ischemia induced by bilateral carotid artery occlusion when administered at doses of 10 and 30 mg/kg.Formal Name: 4-[2-(3,4-dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid, methyl ester, (2E)-2-butenedioate. CAS Number: 126766-32-3. Molecular Formula: C19H25Cl2N3O3 . C4H4O4. Formula Weight: 530.4. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: DMSO: Soluble, Methanol: Soluble. SMILES: OC(/C=C/C(O)=O)=O.ClC(C=C1CC(N2C(CN(CC2)C(OC)=O)CN3CCCC3)=O)=C(C=C1)Cl. InChi Code: InChI=1S/C19H25Cl2N3O3.C4H4O4/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14,5-3(6)1-2-4(7)8/h4-5,10,15H,2-3,6-9,11-13H2,1H3,1-2H,(H,5,6)(H,7,8)/b,2-1+. InChi Key: ABTNETSDXZBJTE-WLHGVMLRSA-N.