Identification and optimization of anthranilic sulfonamides as novel, selective cholecystokinin-2 receptor antagonists

J Med Chem. 2006 Oct 19;49(21):6371-90. doi: 10.1021/jm060590x.

Abstract

A high throughput screening approach to the identification of selective cholecystokinin-2 receptor (CCK-2R) ligands resulted in the discovery of a novel series of antagonists, represented by 1-[2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-5-chlorobenzoyl]-piperidine (1; CCK-2R, pK(I) = 6.4). Preliminary exploration of the structure-activity relationships around the anthranilic ring and the amide and sulfonamide moieties led to a nearly 50-fold improvement of receptor affinity and showed a greater than 1000-fold selectivity over the related cholecystokinin-1 receptor. Pharmacokinetic evaluation led to the identification of 4-[4-iodo-2-[(5-quinoxalinylsulfonyl)amino]benzoyl]-morpholine, 26d, a compound that demonstrates promising pharmacokinetic properties in the rat and dog with respect to plasma clearance and oral bioavailability and is a potent inhibitor in vivo of pentagastrin-stimulated acid secretion in the rat when dosed orally.

MeSH terms

  • Animals
  • Binding, Competitive
  • Biological Availability
  • Dogs
  • Drug Stability
  • Gallbladder / drug effects
  • Gallbladder / physiology
  • Gastric Acid / metabolism
  • Guinea Pigs
  • Humans
  • In Vitro Techniques
  • Male
  • Microsomes, Liver / metabolism
  • Morpholines / chemical synthesis*
  • Morpholines / chemistry
  • Morpholines / pharmacology
  • Muscle Contraction
  • Muscle, Smooth / drug effects
  • Muscle, Smooth / physiology
  • Quinoxalines / chemical synthesis*
  • Quinoxalines / chemistry
  • Quinoxalines / pharmacology
  • Radioligand Assay
  • Rats
  • Rats, Sprague-Dawley
  • Receptor, Cholecystokinin A / antagonists & inhibitors
  • Receptor, Cholecystokinin B / antagonists & inhibitors*
  • Stereoisomerism
  • Stomach / drug effects
  • Stomach / physiology
  • Structure-Activity Relationship
  • Sulfonamides / chemical synthesis*
  • Sulfonamides / chemistry
  • Sulfonamides / pharmacology
  • ortho-Aminobenzoates / chemical synthesis*
  • ortho-Aminobenzoates / chemistry
  • ortho-Aminobenzoates / pharmacology

Substances

  • 4-(4-iodo-2-((5-quinoxalinylsulfonyl)amino)benzoyl)morpholine
  • Morpholines
  • Quinoxalines
  • Receptor, Cholecystokinin A
  • Receptor, Cholecystokinin B
  • Sulfonamides
  • ortho-Aminobenzoates