Ames test of 1-(X-phenyl)-3,3-dialkyltriazenes. A quantitative structure-activity study

The mutagenicity of 1-(X-phenyl)-3,3-dialkyltriazenes was tested in the Ames test using Salmonella typhimurium TA92. The following quantitative structure-activity relationship (QSAR) was formulated: log 1/C = 1.09 log P -1.63 sigma+ + 5.58. In this expression, C is the molar concentration of triazene producing 30 mutations/10(8) bacteria above background. This equation is based on 17 congeners and has a correlation coefficient of 0.974. The QSAR for mutagenicity is compared with QSAR for antileukemia action and toxicity (LD50) in mice. The mutagenicity of aflatoxin B (log 1/C = 9.5) and DTIC (log 1/C = 3.0) have also been determined.