Bivalent ligand approach on N-{2-[(3-methoxyphenyl)methylamino]ethyl}acetamide: synthesis, binding affinity and intrinsic activity for MT(1) and MT(2) melatonin receptors

Bioorg Med Chem. 2011 Aug 15;19(16):4910-6. doi: 10.1016/j.bmc.2011.06.063. Epub 2011 Jun 28.

Abstract

We report the synthesis, binding properties and intrinsic activity at MT(1) and MT(2) melatonin receptors of new dimeric melatonin receptor ligands in which two units of the monomeric agonist N-{2-[(3-methoxyphenyl)methylamino]ethyl}acetamide (1) are linked together through different anchor points. Dimerization of compound 1 through the methoxy substituent leads to a substantial improvement in selectivity for the MT(1) receptor, and to a partial agonist behavior. Compound 3a, with a trimethylene linker, was the most selective for the MT(1) subtype (112-fold selectivity) and compound 3d, characterized by a hexamethylene spacer, had the highest MT(1) binding affinity (pK(iMT1)=8.47) and 54-fold MT(1)-selectivity. Dimerization through the aniline nitrogen of 1 abolished MT(1) selectivity, leading to compounds with either a full agonist or an antagonist behavior depending on the nature of the linker.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • 3T3 Cells
  • Animals
  • Dimerization
  • Drug Design
  • HEK293 Cells
  • Humans
  • Ligands
  • Mice
  • Molecular Targeted Therapy*
  • Protein Binding
  • Rats
  • Receptors, Melatonin / agonists
  • Receptors, Melatonin / antagonists & inhibitors
  • Receptors, Melatonin / chemistry*

Substances

  • Ligands
  • Receptors, Melatonin