QSAR for the cytotoxicity of 2-alkyl or 2, 6-dialkyl, 4-X-phenols: the nature of the radical reaction

…, S Kapur, AJ Shusterman, C Hansch

Index: Selassie, Cynthia D.; Verma, Rajeshwar P.; Kapur, Sanjay; Shusterman, Alan J.; Hansch, Corwin Journal of the Chemical Society. Perkin Transactions 2, 2002 , # 6 p. 1112 - 1117

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Citation Number: 27

Abstract

In a continuation of studies on the radical mediated toxicity of phenols to leukemia cells, a set of di-and tri-substituted phenols with mostly alkyl substituents in the ortho position were examined. These analogs are similar in structure to the commercial antioxidants BHA and BHT. A QSAR analysis of their growth inhibitory constants led to the formulation of this simple but unusual equation based on 18 congeners: ES-2 is the Taft steric parameter for ...