QUANTITATIVE EXPLANATION ON STRUCTURE-CARCINOGENIC ACTIVITY RELATIONSHIP OF AROMATIC AMINES BY DI-REGION THEORY  

作　　者：戴乾圜 郑菁英 王宗一 

机构地区：[1]Center for Chemistry and Bioengineering of Cancer, Beijing Polytechnic University, Beijing 100022. PRC

出　　处：《Science China Chemistry》1991年第5期547-559,共13页中国科学（化学英文版）

基　　金：Project supported by the National Natural Science Foundation of China.

摘　　要：Di-region theory, the theory for the mechanism of carcinogenesis, has been extendedsuccessfully on the quantitative Structure-carcinogenic activity relationship (QSCAR) of 63aromatic amines. A quantitative equation for the QSCAR of aromatic amines has been estab-lished by the mechanism conception of the specialized di- functional alkylation between thenitrenium ion of the amino group and the epoxide of the aromatic ring. The agreementbetween calculation and experiment comes up to 98%. Thus, it can now express the puzzlingvariation of the carcinogenicity of aromatic amines, as a comprehensible structure-chemicalreactivity relationship.Di-region theory, the theory for the mechanism of carcinogenesis, has been extended successfully on the quantitative Structure-carcinogenic activity relationship (QSCAR) of 63 aromatic amines. A quantitative equation for the QSCAR of aromatic amines has been estab- lished by the mechanism conception of the specialized di- functional alkylation between the nitrenium ion of the amino group and the epoxide of the aromatic ring. The agreement between calculation and experiment comes up to 98%. Thus, it can now express the puzzling variation of the carcinogenicity of aromatic amines, as a comprehensible structure-chemical reactivity relationship.

关 键 词：AROMATIC AMINE di-region theory mechanism of CARCINOGENESIS structure-carcinogenic activity relationship (SCAR) CARCINOGENESIS turned on by transcription genes 

分 类 号：O6[理学—化学]