ML-335

The µ-opioid receptor (OPRM1) is the primary site of action for morphine and other opioids associated with the treatment of pain. The occupancy of delta-opioid receptors (OPRD1) by antagonists has been shown to enhance OPRM1 binding and signaling activity. Because heteromerization of OPRM1 and OPRD1 is thought to be a potential mechanism by which this occurs, compounds are being sought that selectively activate OPRM1-OPRD1 heterodimerization while alleviating the unwanted effects associated with prolonged opiate use. ML-335 is the first identified agonist for OPRM1-OPRD1 heterodimerization (EC50 = 403 nM) that demonstrates selectivity over the individual OPRM1 and OPRD1 receptors and the serotonin HT5A receptor (EC50s = 14.9, 1.1, and >40 µM, respectively).Formal Name: 1-[[4-(acetylamino)phenyl]methyl]-4-(2-phenylethyl)-4-piperidinecarboxylic acid, ethyl ester. CAS Number: 1069498-96-9. Synonyms: CID-23723457, CYM 51010. Molecular Formula: C25H32N2O3. Formula Weight: 408.5. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: 5 mg/ml. lambdamax: 249 nm. SMILES: CC(NC(C=C1)=CC=C1CN2CCC(C(OCC)=O)(CCC3=CC=CC=C3)CC2)=O. InChi Code: InChI=1S/C25H32N2O3/c1-3-30-24(29)25(14-13-21-7-5-4-6-8-21)15-17-27(18-16-25)19-22-9-11-23(12-10-22)26-20(2)28/h4-12H,3,13-19H2,1-2H3,(H,26,28). InChi Key: VUXRYYSKTWDPLO-UHFFFAOYSA-N.