On October 31, 1998, Fan, M.; Byrd, C.; Compadre, C. M.; Compadre, R. L. published an article.Related Products of 5709-67-1 The title of the article was Comparison of CoMFA models for Salmonella typhimurium TA98, TA100, TA98 + S9 and TA100 + S9 mutagenicity of nitroaromatics. And the article contained the following:
Comparative Mol. Field Anal. (CoMFA) was applied to a comprehensive data set of heterogeneous nitroaroms. tested in Salmonella typhimurium TA98 and TA100 with and without S9 microsomal activation. The four CoMFA models developed agree with postulated mechanisms of mutagenicity, and explain over 70% of the corresponding mutagenic variance. The standard deviation coefficient contours common in the four models included high electronic d. regions equivalent to C4-C5 in the pyrene ring, and an electron deficient site equivalent to C6. These areas are associated with high mutagenicity. Electron deficient areas may be related with the nitroreductive bioactivation of nitroaroms. Electron rich sites may be involved with oxidative mechanisms analogous to the bioactivation pathway of polycyclic aromatic hydrocarbons. The contribution of steric factors to mutagenicity follows the order TA98 + S9 > TA98 > TA100 + S9 > TA100. The models indicated that increasing bulk perpendicular to the aromatic plane would decrease mutagenicity, but increasing the aromatic ring system along a region corresponding to C6-C7 in 1-nitropyrene would increase mutagenicity. The experimental process involved the reaction of 2-Nitro-1H-benzo[d]imidazole(cas: 5709-67-1).Related Products of 5709-67-1
The Article related to salmonella mutagenicity nitroarom compound, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Related Products of 5709-67-1
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem