Leo A, Panthananickal A, Hansch C, Theiss J, Shimkin M, Andrews A W
J Med Chem. 1981 Jul;24(7):859-64. doi: 10.1021/jm00139a018.
A set of 15 derivatives of aniline mustard (I) was tested to give a quantitative measure of mutagenicity in Salmonella typhimurium TA-1535 and TA-100 and also carcinogenicity as lung tumors in strain-A mice. The structural variation in the set was chosen to minimize collinearity between hydrophobic, electronic, and molar refractive properties. By these measures, there was not a direct relationship between mutagenicity and carcinogenicity; in fact, since the 4-OPh analogue ranked highest in mutagenicity and among the lowest in carcinogenicity, while the reverse was noted for the 3,5-(NHCONH2)2 analogue, an inverse relationship was marginally significant. S-9 activation was required in the Ames test using TA-100, and the dose-response curve, prior to toxicity, appeared biphasic.
对一组15种苯胺芥子气衍生物（I）进行了测试，以定量测定其在鼠伤寒沙门氏菌TA - 1535和TA - 100中的致突变性，以及作为A系小鼠肺部肿瘤的致癌性。选择该组中的结构变异以最小化疏水性、电子性和摩尔折射性质之间的共线性。通过这些措施，致突变性和致癌性之间没有直接关系；事实上，由于4 - OPh类似物在致突变性方面排名最高，而在致癌性方面排名最低，而3,5 - (NHCONH2)2类似物则相反，因此这种反比关系略显显著。在使用TA - 100的艾姆斯试验中需要S - 9活化，并且在毒性出现之前，剂量反应曲线呈双相。
