2-[(Carboxymethyl)sulfanyl]-4-oxo-4-arylbutanoic acids selectively suppressed proliferation of neoplastic human HeLa cells. A SAR/QSAR study

J Med Chem. 2005 Aug 25;48(17):5600-3. doi: 10.1021/jm0502889.

Abstract

A series of twenty alkyl-, halo-, and methoxy-aryl-substituted 2-[(carboxymethyl)sulfanyl]-4-oxo-4-arylbutanoic acids were synthesized. The new compounds, called CSAB, suppressed proliferation of human cervix carcinoma, HeLa cells, in vitro in a concentration range of 0.644 to 29.48 microM/L. Two compounds exhibit antiproliferative activity in sub-micromolar concentrations. Five compounds act in low micromolar concentrations (<2 microM/L). The most active compounds exert lower cytotoxicity toward healthy human peripheral blood mononuclear cells (PBMC and PBMC+PHA) (selectivity indexes > 10). A strong structure-activity relationship, using estimated log P values and BCUT descriptors, was observed.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Antineoplastic Agents / chemical synthesis*
  • Antineoplastic Agents / chemistry
  • Antineoplastic Agents / pharmacology
  • Butyrates / chemical synthesis*
  • Butyrates / chemistry
  • Butyrates / pharmacology
  • Cell Proliferation / drug effects
  • HeLa Cells
  • Humans
  • Leukocytes, Mononuclear / drug effects
  • Magnetic Resonance Spectroscopy
  • Phenylbutyrates / chemical synthesis*
  • Phenylbutyrates / chemistry
  • Phenylbutyrates / pharmacology
  • Structure-Activity Relationship
  • Thioglycolates / chemical synthesis*
  • Thioglycolates / chemistry
  • Thioglycolates / pharmacology

Substances

  • 2-((carboxymethyl)sulfanyl)-4-oxo-4-(2,4,6-triethylphenyl)butanoic acid
  • 2-((carboxymethyl)sulfanyl)-4-oxo-4-(2,5-diisopropylphenyl)butanoic acid
  • Antineoplastic Agents
  • Butyrates
  • Phenylbutyrates
  • Thioglycolates