Design and synthesis of thiourea compounds that inhibit transmembrane anchored carbonic anhydrases

Bioorg Med Chem. 2012 Apr 1;20(7):2392-404. doi: 10.1016/j.bmc.2012.01.052. Epub 2012 Feb 9.

Abstract

A library of 32 novel glycoconjugate thiourea-bridged benzene sulfonamides have been synthesized from the reaction of glycosyl isothiocyanates with a panel of simple benzene sulfonamides comprising either a free amine or hydrazide. All compounds were investigated for their ability to inhibit the enzymatic activity of five human carbonic anhydrase (hCA) isozymes: hCA I, II and membrane-associated isozymes IX, XII and XIV. A physicochemical feature of the free sugar thioureido glycoconjugates was high water solubility (> 20 mg/mL), as well many of these compounds exhibited a desirable potency and CA isozyme selectivity profile. From this library several inhibitors displayed excellent potency-selectivity profiles for transmembrane anchored CAs over off-target CA I and II. These molecules provide potential dual-acting candidates for the development of inhibitors that target the extracellular CAs (IX, XII and XIV)-either directly as free sugars (membrane impermeable) or indirectly as acetylated prodrugs, becoming free sugars upon esterase hydrolysis.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Carbohydrates / chemistry
  • Carbonic Anhydrase Inhibitors / chemical synthesis*
  • Carbonic Anhydrase Inhibitors / chemistry
  • Carbonic Anhydrases / chemistry*
  • Carbonic Anhydrases / metabolism
  • Drug Design*
  • Glycoconjugates / chemical synthesis
  • Glycoconjugates / chemistry
  • Humans
  • Protein Isoforms / antagonists & inhibitors
  • Protein Isoforms / metabolism
  • Solubility
  • Sulfonamides / chemistry
  • Thiourea / chemistry*

Substances

  • Carbohydrates
  • Carbonic Anhydrase Inhibitors
  • Glycoconjugates
  • Protein Isoforms
  • Sulfonamides
  • Carbonic Anhydrases
  • Thiourea