Molecular docking, modeling, semiempirical calculations studies and in vitro evaluation of new synthesized pyrimidin-imide derivatives was written by Abo-Bakr, Ahmed M.;Alsoghier, Hesham M.;Abdelmonsef, Aboubakr H.. And the article was included in Journal of Molecular Structure in 2022.SDS of cas: 40230-24-8 This article mentions the following:
New pyrimidin-imide derivatives I (R = 1,3-dioxo-3a,4,7,7a-tetrahydro-2H-isoindol-2-yl, 1,3-dioxo-2H-isoindol-2-yl, 4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl, etc.) and II were synthesized by a condensation reaction of 4,6-diphenylpyrimidin-2-amine with different anhydrides such as phthalic anhydride, 1,8-naphthalic anhydride, pyromellitic dianhydride, etc. The synthesized compounds have been investigated and put under several studies such as, in vitro and in silico techniques, Lipinski’s rule of five (RO5), semiempirical (PM6) computational calculations in addition of some physicochem. parameters measurements to evaluate their biol. effect against Penicillin-Binding Protein 3 (PBP3) from Escherichia coli. These studies revealed that the newly synthesized pyrimidin-imides have min. binding energy and good affinity especially for ligand mol. 5 which may be considered a promising inhibitor for the PBP3 protein. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8SDS of cas: 40230-24-8).
4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. Pyrimidines are isomeric with two other forms of diazines: pyridazine, with the nitrogen atoms in the 1 and 2 positions; and pyrazine, with the nitrogen atoms in the 1 and 4 positions. As nucleotides in DNA and RNA, pyrimidine nucleotide derivatives have a wide range of biological applications. For example, pyrimidine derivatives are useful in DNA repair studies involving cancer and epigenetics.SDS of cas: 40230-24-8
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia