The importance of hydrophobicity in the mutagenicity of methanesulfonic acid esters with Salmonella typhimurium TA100.
The analysis of the mutagenic activity of a series of 15 methanesulfonate esters with Salmonella typhimurium TA100 shows that it can be correlated with the following equation: log TA100 = 1.10 log P + 0.73 log MMI -2.53, where MMI is the relative rate of reaction of the esters with N-methyl-2-mercaptoimidazole and P is the octanol/water partition coefficient. The results are compared with a number of other structure-activity studies on mutagenesis by a variety of types of chemicals.
Department of Chemistry, Pomona College, Claremont, California 91711.
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D000818:Animals; D001711:Biotransformation; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D004952:Esters; D008698:Mesylates / Q000737:chemistry / Q000633:toxicity*; D009152:Mutagenicity Tests; D009153:Mutagens / Q000737:chemistry / Q000633:toxicity*; D051381:Rats; D012486:Salmonella typhimurium / Q000187:drug effects / Q000235:genetics*; D012995:Solubility; D013329:Structure-Activity Relationship; D014867:Water / Q000737:chemistry
D004952:Esters; D008698:Mesylates; D009153:Mutagens; D014867:Water