Structure-activity relationship studies on N3-substituted willardiine derivatives acting as AMPA or kainate receptor antagonists

J Med Chem. 2006 Apr 20;49(8):2579-92. doi: 10.1021/jm051086f.

Abstract

N3-substitution of the uracil ring of willardiine with a variety of carboxyalkyl or carboxybenzyl substituents produces AMPA and kainate receptor antagonists. In an attempt to improve the potency and selectivity of these AMPA and kainate receptor antagonists a series of analogues with different terminal acidic groups and interacidic group spacers was synthesized and pharmacologically characterized. (S)-1-(2-Amino-2-carboxyethyl)-3-(2-carboxythiophene-3-ylmethyl)pyrimidine-2,4-dione (43, UBP304) demonstrated high potency and selectivity toward native GLU(K5)-containing kainate receptors (K(D) 0.105 +/- 0.007 microM vs kainate on native GLU(K5); K(D) 71.4 +/- 8.3 microM vs (S)-5-fluorowillardiine on native AMPA receptors). On recombinant human GLU(K5), GLU(K5)/GLU(K6), and GLU(K5)/GLU(K2), K(B) values of 0.12 +/- 0.03, 0.12 +/- 0.01, and 0.18 +/- 0.02 microM, respectively, were obtained for 43. However, 43 displayed no activity on homomeric GLU(K6) or GLU(K7) kainate receptors or homomeric GLU(A1-4) AMPA receptors (IC(50) values > 100 microM). Thus, 43 is a potent and selective GLU(K5) receptor antagonist.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Alanine / analogs & derivatives*
  • Alanine / chemical synthesis
  • Alanine / chemistry
  • Alanine / pharmacology
  • Animals
  • Binding Sites
  • Cell Line
  • Drug Evaluation, Preclinical
  • Humans
  • In Vitro Techniques
  • Molecular Structure
  • Pyrimidinones / chemical synthesis
  • Pyrimidinones / chemistry
  • Pyrimidinones / pharmacology*
  • Rats
  • Receptors, Kainic Acid / antagonists & inhibitors*
  • Recombinant Proteins / antagonists & inhibitors
  • Structure-Activity Relationship
  • Time Factors
  • Uracil / analogs & derivatives
  • Uracil / chemical synthesis
  • Uracil / chemistry
  • Uracil / pharmacology*
  • alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid / antagonists & inhibitors*

Substances

  • 1-(2-amino-2-carboxyethyl)-3-(2-carboxythiophene-3-ylmethyl)pyrimidine-2,4-dione
  • Pyrimidinones
  • Receptors, Kainic Acid
  • Recombinant Proteins
  • willardiine
  • Uracil
  • alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid
  • Alanine