Nitrosamine carcinogenicity: a quantitative Hansch-Taft structure-activity relationship.
Statistically significant correlations have been demonstrated between carcinogenic activity, water-hexane partition coefficients and electronic factors for an extensive series of N-nitroso compounds. Electronic factors were expressed by the Taft sigma* values of substituents on the carbon atoms alpha to the N-nitroso group. Such correlations indicate that transport of the carcinogen to its active site has an important effect on its potency. The correlations also implicate reactivity at the alpha-carbon in the determination of carcinogenic activity and point out various structural types which do not follow the general rule.
D000818:Animals; D002273:Carcinogens; D003201:Computers; D004583:Electrons; D008954:Models, Biological; D009602:Nitrosamines / Q000494:pharmacology*; D051381:Rats; D012995:Solubility; D013329:Structure-Activity Relationship
D002273:Carcinogens; D009602:Nitrosamines