N-Arylsulfonylindole derivatives as serotonin 5-HT(6) receptor ligands

J Med Chem. 2001 Nov 8;44(23):3881-95. doi: 10.1021/jm010943m.

Abstract

A series of N(1)-arylsulfonyltryptamines were found to be potent ligands of the human serotonin 5-HT(6) receptor with the 5-methoxy-1-benzenesulfonyl analogue (19) having the highest affinity. Additionally, it was discovered that a group such as 3-(3-methoxybenzyl)-1,2,4-oxadiazol-5-yl in the 2-position of the indole ring (43) can replace the arylsulfonyl substituent in the 1-position with no loss of affinity. This suggested that the binding conformation of the aminoethyl side chain at this receptor was toward the 4-position of the indole ring and was supported by the fact that the 4-(aminoethyl)indoles (45) also displayed high affinity, as did the conformationally rigid 1,3,4,5-tetrahydrobenz[c,d]indole (49). Molecular modeling showed that 19, 43, and 45 all had low-energy conformers that overlaid well onto 49. Both 19 and 49 had good selectivity over other serotonin receptors tested, with 49 also showing excellent selectivity over all dopamine receptors. In a functional adenylate cyclase stimulation assay, 19 and 49 had no agonist activity, whereas 45 behaved as a partial agonist. Finally, it was shown that 19 had good activity in the 5-HT(2A) centrally mediated mescaline-induced head twitch assay, which implies that it is brain-penetrant.

MeSH terms

  • Animals
  • Behavior, Animal / drug effects
  • CHO Cells
  • Cloning, Molecular
  • Cricetinae
  • HeLa Cells
  • Humans
  • Indoles / chemical synthesis*
  • Indoles / chemistry
  • Indoles / metabolism
  • Indoles / pharmacology
  • Ligands
  • Male
  • Mescaline / pharmacology
  • Models, Molecular
  • Radioligand Assay
  • Rats
  • Rats, Sprague-Dawley
  • Receptors, Serotonin / drug effects
  • Receptors, Serotonin / metabolism*
  • Serotonin Agents / chemical synthesis*
  • Serotonin Agents / chemistry
  • Serotonin Agents / metabolism
  • Serotonin Agents / pharmacology
  • Serotonin Receptor Agonists / chemical synthesis
  • Serotonin Receptor Agonists / chemistry
  • Serotonin Receptor Agonists / metabolism
  • Serotonin Receptor Agonists / pharmacology
  • Structure-Activity Relationship
  • Sulfones / chemical synthesis*
  • Sulfones / chemistry
  • Sulfones / metabolism
  • Sulfones / pharmacology

Substances

  • Indoles
  • Ligands
  • N,N-dimethyl-2-(1-(benzenesulfonyl)-5-methoxy-1H-indol-3-yl)ethylamine
  • Receptors, Serotonin
  • Serotonin Agents
  • Serotonin Receptor Agonists
  • Sulfones
  • serotonin 6 receptor
  • Mescaline