62783-50-0Relevant academic research and scientific papers
Quantitative structure-activity relationship of the mutagenicity of substituted N-nitroso-N-benzylmethylamines: Possible implications of carcinogenicity
Singer,Andrews,Guo
, p. 40 - 44 (2007/10/02)
The relative mutagenicities of substituted N-nitroso-N-benzylmethylamines have been reexamined from a quantitative structure-activity relationship point of view. Most of the compounds were mutagenic toward Salmonella typhimurium TA 1535 with Aroclor-induced male hamster liver S9 activation. The dose-response data were subjected to a multiple linear regression equation calculated in a stepwise manner, which found that the differences in mutagenicities could be explained primarily by differences in the three-bond path molecular connectivity index, with smaller contributions from σ and π. Moreover, a polynomial regression analysis showed that the maximum mutagenicity could be explained by an optimal amount of electron withdrawal by the substituent which could cause a weakening, or activation, of the methylene C-H bond. The possible relevance of these observations to carcinogenesis is discussed.
Mutagenicity and Chemistry of N-Nitroso-N-(p-substituted-benzyl)methylamines
Singer, George M.,Andrews, A.W.
, p. 309 - 312 (2007/10/02)
The relative mutagenicities of N-nitroso-N-(p-substituted-benzyl)methylamines in Salmonella typhimurium TA 1535 were tested in order to determine whether biological activity is affected by the electron density at a nitrosamine α carbon.The order of potency was as follows: X = Cl > CN > Br > NO2 > H > CH3O > CH3 > F >> COOH.No direct correlation was apparent, nor was there obvious correlation between biological activity and the extent of base-catalysed hydrogen-deuterium exchange at the α-carbons.
