Stieglitz rearrangement of N,N-dichloro-beta,beta-disubstituted taurines under mild aqueous conditions

Bioorg Med Chem Lett. 2009 Feb 15;19(4):1110-4. doi: 10.1016/j.bmcl.2008.12.109. Epub 2009 Jan 3.

Abstract

New topical anti-infectives comprised of N,N-dichloro-beta,beta-disubstituted taurines [Tetrahedron Lett.2008, 49, 2193; Biorg. Med. Chem. Lett. 2009, 19, 196] have been examined for structure-stability relationships (SSR) based upon various alkyl, heteroalkyl and cycloalkyl beta-substitutions. These substitutions affect order-of-magnitude changes in the aqueous stability of these N,N-dichloroamines which can undergo Stieglitz rearrangement of alkyl groups under extremely mild conditions (H(2)O, pH 4-7, 0-20 mM acetate or phosphate buffer, 20-40 degrees C). This process produces beta-ketosulfonic acids which function as substrates for chlorination by the N-chlorotaurines which leads to their further degradation.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Combinatorial Chemistry Techniques
  • Hydrocarbons, Chlorinated / chemical synthesis*
  • Hydrocarbons, Chlorinated / chemistry
  • Hydrocarbons, Chlorinated / pharmacology
  • Molecular Structure
  • Stereoisomerism
  • Structure-Activity Relationship
  • Taurine / analogs & derivatives*
  • Taurine / chemical synthesis*
  • Taurine / chemistry
  • Taurine / pharmacology
  • Water / chemistry

Substances

  • Hydrocarbons, Chlorinated
  • Water
  • Taurine