Structure-activity relationships of 2-chloro-N6-substituted-4'-thioadenosine-5'-N,N-dialkyluronamides as human A3 adenosine receptor antagonists

Bioorg Med Chem Lett. 2008 Mar 1;18(5):1612-6. doi: 10.1016/j.bmcl.2008.01.070. Epub 2008 Jan 19.

Abstract

On the basis of potent and selective A(3) adenosine receptor (AR) antagonist, 2-chloro-N(6)-(3-iodobenzyl)-4'-thioadenosine-5'-N,N-dimethyluronamide, structure-activity relationships were studied for a series of 5'-N,N-dialkyluronamide derivatives, synthesized from D-gulonic gamma-lactone. From this study, it was revealed that removal of the hydrogen bond-donating ability of the 5'-uronamide was essential for the pure A(3)AR antagonism. 5'-N,N-Dimethyluronamide derivatives exhibited higher binding affinity than larger 5'-N,N-dialkyl or 5'-N,N-cycloalkylamide derivatives, indicating that steric factors are crucial in binding to the human A(3)AR. A N(6)-(3-bromobenzyl) derivative 6c (K(i)=9.32 nM) exhibited the highest binding affinity at the human A(3)AR with very low binding affinities to other AR subtypes.

Publication types

  • Research Support, N.I.H., Intramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Adenosine A3 Receptor Antagonists*
  • Amides / chemistry*
  • Amides / pharmacology*
  • Animals
  • CHO Cells
  • Cricetinae
  • Cricetulus
  • Humans
  • Molecular Structure
  • Structure-Activity Relationship
  • Uronic Acids / chemistry*
  • Uronic Acids / pharmacology*

Substances

  • Adenosine A3 Receptor Antagonists
  • Amides
  • Uronic Acids