Abstract
The results of MNDO computation show that the anchimeric assistance effect of nitrogen atom in cycle does obviously enhance the alkylation of 3, 5-dimethyl-N-nitrosopeperazine to DNA bases, because, when the compounds have almost the same a-position’s activities, this kind of anchimeric assistance makes the carcinogenicity much higher. It is verified that the second active eletrophilic region is of great importance to carcinogenesis of NNCs. This is consistent with the di-region theory.
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