Synthesis and Structure-Activity Relationships of 2,5-Dimethoxy-4-Substituted Phenethylamines and the Discovery of CYB210010: A Potent, Orally Bioavailable and Long-Acting Serotonin 5-HT2 Receptor Agonist

J Med Chem. 2024 Apr 25;67(8):6144-6188. doi: 10.1021/acs.jmedchem.3c01961. Epub 2024 Apr 9.

Abstract

Structure-activity studies of 4-substituted-2,5-dimethoxyphenethylamines led to the discovery of 2,5-dimethoxy-4-thiotrifluoromethylphenethylamines, including CYB210010, a potent and long-acting serotonin 5-HT2 receptor agonist. CYB210010 exhibited high agonist potency at 5-HT2A and 5-HT2C receptors, modest selectivity over 5-HT2B, 5-HT1A, 5-HT6, and adrenergic α2A receptors, and lacked activity at monoamine transporters and over 70 other proteins. CYB210010 (0.1-3 mg/kg) elicited a head-twitch response (HTR) and could be administered subchronically at threshold doses without behavioral tolerance. CYB210010 was orally bioavailable in three species, readily and preferentially crossed into the CNS, engaged frontal cortex 5-HT2A receptors, and increased the expression of genes involved in neuroplasticity in the frontal cortex. CYB210010 represents a new tool molecule for investigating the therapeutic potential of 5-HT2 receptor activation. In addition, several other compounds with high 5-HT2A receptor potency, yet with little or no HTR activity, were discovered, providing the groundwork for the development of nonpsychedelic 5-HT2A receptor ligands.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Administration, Oral
  • Animals
  • Biological Availability
  • Drug Discovery
  • Humans
  • Male
  • Mice
  • Phenethylamines* / chemical synthesis
  • Phenethylamines* / chemistry
  • Phenethylamines* / pharmacology
  • Rats
  • Rats, Sprague-Dawley
  • Receptor, Serotonin, 5-HT2A / metabolism
  • Receptors, Serotonin, 5-HT2 / metabolism
  • Serotonin 5-HT2 Receptor Agonists* / chemical synthesis
  • Serotonin 5-HT2 Receptor Agonists* / chemistry
  • Serotonin 5-HT2 Receptor Agonists* / pharmacology
  • Structure-Activity Relationship

Substances

  • Phenethylamines
  • Serotonin 5-HT2 Receptor Agonists
  • Receptors, Serotonin, 5-HT2
  • Receptor, Serotonin, 5-HT2A