Design of fluorinated 5-HT(4)R antagonists: influence of the basicity and lipophilicity toward the 5-HT(4)R binding affinities

Bioorg Med Chem. 2013 Dec 1;21(23):7529-38. doi: 10.1016/j.bmc.2013.08.061. Epub 2013 Sep 7.

Abstract

Analogues of potent 5-HT(4)R antagonists possessing a fluorinated N-alkyl chain have been synthesized in order to investigate the effect of the resulting change in basicity and lipophilicity on the affinity and selectivity profile. We demonstrate that for this series, the affinity is decreased with decreased basicity of the piperidine's nitrogen atom. In contrast, the resulting increase in lipophilicity has minimal impact on binding affinity and selectivity. 3,3,3-Trifluoropropyl and 4,4,4-trifluorobutyl derivatives 6d and 6e have shown to bind to the 5-HT(4)R while maintaining their pharmacological profile and selectivity toward other 5-HT receptors.

Keywords: 5-HT(4); Basicity; CNS; Fluorination; Lipophilicity.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Drug Design*
  • Guinea Pigs
  • Halogenation
  • Humans
  • Piperidines / chemistry
  • Piperidines / pharmacology
  • Receptors, Serotonin, 5-HT4 / metabolism*
  • Serotonin 5-HT4 Receptor Antagonists / chemistry*
  • Serotonin 5-HT4 Receptor Antagonists / pharmacology*

Substances

  • Piperidines
  • Serotonin 5-HT4 Receptor Antagonists
  • Receptors, Serotonin, 5-HT4
  • piperidine