Structure-activity relationships of aromatic amines in the Ames Salmonella typhimurium assay.
The author tried in a somewhat limited work to quantitatively correlate the electronic and steric intramolecular interactions of substituents on the amino group (influencing the enzymatic reactions of aromatic amines) and the mutagenic event. It was assumed that there is a correlation between these biotransformations and the electronic state of aromatic amines at the ionic dissociation equilibrium. The approach is rather empirical and arbitrary but the overall agreement between experimental mutagenic potencies and the values calculated was encouraging and led the author to further developments. It is hoped that the concepts used in this work may be applied to other aromatic molecules bearing an amino group.
Kalopissis
G
G
Laboratoires de Recherche, Société L'Oréal, Neuilly sur Seine, France.
D000588:Amines / Q000737:chemistry*; D000627:Aminophenols; D000814:Aniline Compounds; D008956:Models, Chemical; D015394:Molecular Structure; D009152:Mutagenicity Tests; D010655:Phenylenediamines; D012486:Salmonella typhimurium; D013329:Structure-Activity Relationship
D000588:Amines; D000627:Aminophenols; D000814:Aniline Compounds; D010655:Phenylenediamines; C023650:aniline