1-((7,7-Dimethyl-2(S)-(2(S)-amino-4-(methylsulfonyl)butyramido)bicyclo [2.2.1]-heptan-1(S)-yl)methyl)sulfonyl)-4-(2-methylphenyl)piperaz ine (L-368,899): an orally bioavailable, non-peptide oxytocin antagonist with potential utility for managing preterm labor

J Med Chem. 1994 Mar 4;37(5):565-71. doi: 10.1021/jm00031a004.

Abstract

Modifications to the previously reported spiroindenylpiperidine camphor-sulfonamide oxytocin (OT) antagonist L-366,509 have produced a new series of o-tolylpiperazine (TP) camphor-sulfonamides. A number of analogues in the TP series that incorporate a modified or unmodified L-methionine sulfone amide at the C2 endo position on the camphor ring exhibit high affinity for OT receptors (IC50 = 1.3-15 nM) and good selectivity for binding to OT versus arginine vasopressin V1a and V2 receptors. Several of these analogues were additionally characterized as potent antagonists of OT-stimulated contractions of the isolated and/or in situ rat uterus. Compound 7 (L-368,899) exhibited the best overall profile of OT receptor affinity (IC50 = 8.9 nM, rat uterus; 26 nM, human uterus), potency for inhibition of OT-stimulated contractions of the isolated rat uterus (pA2 = 8.9) and in situ rat uterus (AD50 = 0.35 mg/kg after intravenous (i.v.) administration and 7.0 mg/kg after intraduodenal administration), aqueous solubility (3.7 mg/mL at pH 5.0), and oral bioavailability in several species (35% (rat), 25% (dog), and 21% (chimpanzee) as estimated from radioreceptor determination of drug levels in plasma after oral and i.v. dosing). On the basis of these favorable properties, 7 has begun clinical testing for use as an oral and i.v. tocolytic agent. Molecular modeling alignment studies have provided support for the hypothesis that the TP camphor-sulfonamide portion of the non-peptide structures may serve as a mimetic of the important D-AA2-Ile3 dipeptide (AA = aromatic amino acid) found in many potent OT antagonists from the cyclic hexapeptide and OT analogue structural classes.

MeSH terms

  • Animals
  • Biological Availability
  • Camphanes / chemistry*
  • Camphanes / pharmacokinetics
  • Camphanes / pharmacology
  • Crystallography, X-Ray
  • Dogs
  • Female
  • Humans
  • Macaca mulatta
  • Models, Molecular
  • Molecular Structure
  • Obstetric Labor, Premature / drug therapy*
  • Oxytocin / antagonists & inhibitors*
  • Oxytocin / pharmacology
  • Piperazines / chemistry*
  • Piperazines / pharmacokinetics
  • Piperazines / pharmacology
  • Pregnancy
  • Rats
  • Receptors, Oxytocin / metabolism
  • Structure-Activity Relationship
  • Tocolytic Agents / chemistry*
  • Tocolytic Agents / pharmacokinetics
  • Tocolytic Agents / pharmacology
  • Uterine Contraction / drug effects

Substances

  • Camphanes
  • Piperazines
  • Receptors, Oxytocin
  • Tocolytic Agents
  • Oxytocin
  • L 368899