Zhang, Ying Ping published the artcileStructural basis of the mutagenicity of heterocyclic amines formed during the cooking processes, HPLC of Formula: 116599-55-4, the main research area is amine structure mutagenicity; MSBAR heterocyclic amine mutagen.
A database consisting of 61 heterocyclic amines formed during food preparation and their desamino analogs was subjected to structure-activity anal. using the CASE method, a structural activity relational expert system. The program identified the major structural determinants associated with mutagenic activity or lack thereof. The structures identified as contributing to the probability of activity as well as those associated with mutagenic potency were highly predictive of mols. not in the learning set. The major structural determinant, the aromatic amino moiety, and quantum mech. calculations revealed that the mutagenic potency associated with this functionality derived from their contribution to the energy of the LUMO.
Environmental and Molecular Mutagenesis published new progress about Mutagens. 116599-55-4 belongs to class imidazoles-derivatives, name is 5,7-Dimethyl-1H-imidazo[4,5-b]pyridine, and the molecular formula is C8H9N3, HPLC of Formula: 116599-55-4.
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem