The discovery of small molecule carbamates as potent dual alpha(4)beta(1)/alpha(4)beta(7) integrin antagonists

Bioorg Med Chem Lett. 2002 Jan 21;12(2):159-63. doi: 10.1016/s0960-894x(01)00710-7.

Abstract

The alpha(4)beta(1) and alpha(4)beta(7) integrins are implicated in several inflammatory disease states. Systematic SAR studies of an alpha(4)beta(1)-specific arylsulfonyl-Pro-Tyr lead led to the identification of a new alpha(4)beta(7) binding site, best captured by O-carbamates of Tyr for this structural class. Several compounds showed a 200- to 400-fold improvement in alpha(4)beta(7) binding affinity while maintaining subnanomolar alpha(4)beta(1) activity, for example 2l, VCAM-Ig alpha(4)beta(1) IC(50)=0.13 nM, VCAM-Ig alpha(4)beta(7) IC(50)=1.92 nM.

MeSH terms

  • Carbamates / chemistry
  • Carbamates / pharmacokinetics
  • Carbamates / pharmacology*
  • Humans
  • Integrin alpha4beta1
  • Integrins / antagonists & inhibitors*
  • Jurkat Cells
  • Receptors, Lymphocyte Homing / antagonists & inhibitors*
  • Structure-Activity Relationship

Substances

  • Carbamates
  • Integrin alpha4beta1
  • Integrins
  • Receptors, Lymphocyte Homing
  • integrin alpha4beta7