Thieno[3,2-b]- and thieno[2,3-b]pyrrole bioisosteric analogues of the hallucinogen and serotonin agonist N,N-dimethyltryptamine

J Med Chem. 1999 Mar 25;42(6):1106-11. doi: 10.1021/jm980692q.

Abstract

The synthesis and biological activity of 6-[2-(N, N-dimethylamino)ethyl]-4H-thieno[3,2-b]pyrrole (3a) and 4-[2-(N, N-dimethylamino)ethyl]-6H-thieno[2,3-b]pyrrole (3b), thienopyrroles as potential bioisosteres of N,N-dimethyltryptamine (1a), are reported. Hallucinogen-like activity was evaluated in the two-lever drug discrimination paradigm using LSD- and DOI-trained rats. Neither 3a nor 3b substituted for LSD or DOI up to doses of 50 micromol/kg. By comparison, 1a fully substituted in LSD-trained rats. However, 3a and 3b fully substituted for the 5-HT1A agonist LY293284 ((-)-(4R)-6-acetyl-4-(di-n-propylamino)-1,3,4, 5-tetrahydrobenz[c,d]indole). Both 3a and 3b induced a brief "serotonin syndrome" and salivation, an indication of 5-HT1A receptor activation. At the cloned human 5-HT2A receptor 3b had about twice the affinity of 3a. At the cloned human 5-HT2B and 5-HT2C receptors, however, 3a had about twice the affinity of 3b. Therefore, thiophene lacks equivalence as a replacement for the phenyl ring in the indole nucleus of tryptamines that bind to 5-HT2 receptor subtypes and possess LSD-like behavioral effects. Whereas both of the thienopyrroles had lower affinity than the corresponding 1a at 5-HT2 receptors, 3a and 3b had significantly greater affinity than 1a at the 5-HT1A receptor. Thus, thienopyrrole does appear to serve as a potent bioisostere for the indole nucleus in compounds that bind to the serotonin 5-HT1A receptor. These differences in biological activity suggest that serotonin receptor isoforms are very sensitive to subtle changes in the electronic character of the aromatic systems of indole compounds.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Amphetamines / pharmacology
  • Animals
  • Cell Line
  • Cloning, Molecular
  • Cricetinae
  • Discrimination Learning / drug effects
  • Hallucinogens / chemical synthesis*
  • Hallucinogens / chemistry
  • Hallucinogens / metabolism
  • Hallucinogens / pharmacology
  • Humans
  • Lysergic Acid Diethylamide / pharmacology
  • Male
  • N,N-Dimethyltryptamine / chemistry*
  • N,N-Dimethyltryptamine / pharmacology
  • Pyrroles / chemical synthesis*
  • Pyrroles / chemistry
  • Pyrroles / metabolism
  • Pyrroles / pharmacology
  • Rats
  • Rats, Sprague-Dawley
  • Receptor, Serotonin, 5-HT2A
  • Receptor, Serotonin, 5-HT2B
  • Receptor, Serotonin, 5-HT2C
  • Receptors, Serotonin / biosynthesis
  • Receptors, Serotonin / metabolism
  • Receptors, Serotonin, 5-HT1
  • Serotonin Receptor Agonists / chemical synthesis*
  • Serotonin Receptor Agonists / chemistry
  • Serotonin Receptor Agonists / metabolism
  • Serotonin Receptor Agonists / pharmacology
  • Thiophenes / chemical synthesis*
  • Thiophenes / chemistry
  • Thiophenes / metabolism
  • Thiophenes / pharmacology
  • Tryptamines / pharmacology

Substances

  • 4-(2-(N,N-dimethylamino)ethyl)-6H-thieno(2,3-b)pyrrole
  • 6-(2-(N,N-dimethylamino)ethyl)-4H-thieno(3,2-b)pyrrole
  • Amphetamines
  • Hallucinogens
  • Pyrroles
  • Receptor, Serotonin, 5-HT2A
  • Receptor, Serotonin, 5-HT2B
  • Receptor, Serotonin, 5-HT2C
  • Receptors, Serotonin
  • Receptors, Serotonin, 5-HT1
  • Serotonin Receptor Agonists
  • Thiophenes
  • Tryptamines
  • LY 293284
  • Lysergic Acid Diethylamide
  • 4-iodo-2,5-dimethoxyphenylisopropylamine
  • N,N-Dimethyltryptamine