Synthesis and structure-activity relationship of C5-substituted analogues of (+-)-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine [(+-)-desmethyl-MK801]: ligands for the NMDA receptor-coupled phencyclidine binding site

J Med Chem. 1990 Mar;33(3):1069-76. doi: 10.1021/jm00165a029.

Abstract

A series of eight C5-substituted analogues of (+-)-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine (1) have been prepared by the directed lithiation-alkylation (and acylation) of its (+-)-N-tert-butylformamidinyl derivative 2 followed by formamidine solvolysis. An additional 10 analogues were prepared by elaboration of the C5-ethyl ester derivative. Analogues possessing large (e.g. propyl and larger) lipophilic substituents displace [3H]-1-(1-thienylcyclohexyl)piperidine [( 3H]TCP) from the high-affinity phencyclidine (PCP) binding site in rat brain homogenates only at high concentrations (Ki greater than 1000 nM); however, the presence of a polar amino functionality (e.g. 2-aminoethyl) offsets this effect (Ki = 20 nM). Thus, the boundary condition for lipophilic substituents larger than ethyl appears to be polar in nature. Interaction of the 11 relatively small (MR less than 14) C5-substituted analogues of 1 with the high-affinity PCP binding site associated with the N-methyl-D-aspartate (NMDA) receptor is best described by the equation log (1/Ki) = -5.83F + 0.64 pi + 7.41 (r = 0.90).

Publication types

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

MeSH terms

  • Animals
  • Binding Sites
  • Dibenzocycloheptenes / chemical synthesis*
  • Dibenzocycloheptenes / metabolism
  • Dibenzocycloheptenes / pharmacology
  • Dizocilpine Maleate
  • In Vitro Techniques
  • Ligands
  • Phencyclidine / analogs & derivatives
  • Phencyclidine / metabolism
  • Rats
  • Receptors, N-Methyl-D-Aspartate
  • Receptors, Neurotransmitter / drug effects*
  • Receptors, Neurotransmitter / metabolism*
  • Receptors, Phencyclidine
  • Regression Analysis
  • Structure-Activity Relationship

Substances

  • Dibenzocycloheptenes
  • Ligands
  • Receptors, N-Methyl-D-Aspartate
  • Receptors, Neurotransmitter
  • Receptors, Phencyclidine
  • Dizocilpine Maleate
  • tenocyclidine
  • Phencyclidine