Quantitative analysis of structure-toxicity relationships of substituted anilines by use of Balb/3T3 cells
Akihisa Harada, Kazuo Hashimoto, Masahiko Hanzawa, Jun Saito · Environmental Toxicology and Chemistry · 1992
Abstract The acute toxicities of 24 substituted anilines in terms of 50% inhibition concentrations (150) for viability of cells and their adenosine triphosphate (ATP) content were measured with monolayer cultures of Balb/3T3 cells. The quantitative relationship (QSAR) was analyzed for the pI50 (viability) value with physicochemical substituent parameters. The pI50 (viability) value of substituted anilines was parabolically related with log P, P being the 1-octanol/water partition coefficient, where electronic and hydrogen bonding effects were separately considered. There was a good correspondence between pI50 values for cellular viability and ATP content. None of the test compounds, however, showed any specific depletion of cellular ATP content, suggesting that substituted anilines do not specifically damage the energy metabolism of the cells.