title: Quantitative explanation on structure-carcinogenic activity relationship of aromatic amines by di-region theory.
abstract: 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 established 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.
authors.affiliation: Center for Chemistry and Bioengineering of Cancer, Beijing Polytechnic University, PRC.
authors.forename: Q H
authors.initials: QH
authors.lastname: Dai
authors.forename: Q Y
authors.initials: QY
authors.lastname: Zheng
authors.forename: Z Y
authors.initials: ZY
authors.lastname: Wang
mesh_terms: D015073:2-Acetylaminofluorene / Q000737:chemistry; D015081:2-Naphthylamine / Q000737:chemistry; D000478:Alkylation; D000588:Amines / Q000737:chemistry*; D002273:Carcinogens / Q000737:chemistry*; D005449:Fluorenes / Q000737:chemistry; D013329:Structure-Activity Relationship; D014158:Transcription, Genetic
chemical_list: D000588:Amines; D002273:Carcinogens; D005449:Fluorenes; C012177:2-aminofluorene; D015073:2-Acetylaminofluorene; D015081:2-Naphthylamine