4,4-Disubstituted piperidine high-affinity NK1 antagonists: structure-activity relationships and in vivo activity

J Med Chem. 1998 Nov 5;41(23):4623-35. doi: 10.1021/jm980376b.

Abstract

Previously reported studies from these laboratories described the design of a novel series of high-affinity NK1 antagonists based on the 4,4-disubstituted piperidine ring system. Further structure-activity studies have now established that for high NK1 affinity the benzyl ether side chain must be 3,5-disubstituted and highly lipophilic, the optimal side chain being the 3, 5-bis(trifluoromethyl)benzyl ether, 12 (hNK1 IC50 = 0.95 nM). Additional studies have shown that this class of NK1 antagonist tolerates a wider range of substituents on the piperidine nitrogen, including acyl (38) (hNK1 IC50 = 5.3 nM) and sulfonyl (39) (hNK1 IC50 = 5.7 nM) derivatives. Following preliminary pharmacokinetic analysis, two compounds (32 and 43) were selected for in vivo study in the resiniferotoxin-induced vascular leakage model, both showing excellent profiles (ID50 = 0.22 and 0.28 mg/kg, respectively).

MeSH terms

  • Animals
  • CHO Cells
  • Capillary Permeability / drug effects
  • Cricetinae
  • Diterpenes / toxicity
  • Esophagus / blood supply
  • Esophagus / drug effects
  • Guinea Pigs
  • Inositol Phosphates / metabolism
  • Male
  • Neurokinin-1 Receptor Antagonists*
  • Piperidines / chemical synthesis*
  • Piperidines / pharmacokinetics
  • Piperidines / pharmacology
  • Pyrrolidines / chemical synthesis*
  • Pyrrolidines / pharmacokinetics
  • Pyrrolidines / pharmacology
  • Radioligand Assay
  • Receptors, Neurokinin-1 / biosynthesis
  • Structure-Activity Relationship
  • Thiazoles / chemical synthesis*
  • Thiazoles / pharmacokinetics

Substances

  • 1-(4-(3,5-bis(trifluoromethyl)benzyloxymethyl)-4-phenylpiperidin-1-yl)-2-pyrrolidineacetamide
  • 4-(3,5-bis(trifluoromethyl)benzyloxymethyl)-1-(2-methylthiazol-5-ylmethyl)-4-phenylpiperidine
  • Diterpenes
  • Inositol Phosphates
  • Neurokinin-1 Receptor Antagonists
  • Piperidines
  • Pyrrolidines
  • Receptors, Neurokinin-1
  • Thiazoles
  • resiniferatoxin