Emami, Leila published the artcileNovel N-substituted isatin-ampyrone Schiff bases as a new class of antiproliferative agents: Design, synthesis, molecular modeling and in vitro cytotoxic activity, COA of Formula: C7H6Cl2, the publication is Journal of Heterocyclic Chemistry (2022), 59(7), 1144-1159, database is CAplus.
Thirteen novel isatin-ampyrone Schiff bases derivatives such as I [X = H, Cl; R = H, 3-F, 4-OMe, etc.] were synthesized by the reaction of isatins and benzyl halides followed by condensation with ampyrone. In vitro cytotoxic activity of these new Schiff bases against three human tumor cell lines (MCF-7, A549, and SCOV3) as well as normal breast cell line (MCF-10A) were evaluated by MTT assay. Structure-activity relationship of the tested compounds revealed that chlorine group at C-5 position of the isatin ring significantly increased the cytotoxic activity. This study generally led to introduce a highly active mol. I [X = Cl; R = 3-Cl] with IC50 values of 5.12, 25.5, and 12.9μM, on MCF-7, A549, and SCOV3, resp. Furthermore, mol. docking studies of the synthesized compounds were also done to investigate their binding modes to toward VEGFR-2 and JNK3-MAP kinase as the main targets for isatin-containing anticancer agents. Binding free energy values of the compounds showed pos. correlation with their cytotoxic activities. To confirm the docking results, mol. docking simulations of potent compound I [X = Cl; R = 3-Cl] against VEGFR-2 and JNK3 MAP kinase were also performed. According to the cytotoxic results and in silico ADMET predictions together, I [X = Cl; R = 3-Cl] could be considered as a potent candidate for the future anticancer studies.
Journal of Heterocyclic Chemistry published new progress about 620-20-2. 620-20-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Benzyl chloride,Benzene, name is 3-Chlorobenzylchloride, and the molecular formula is C7H6Cl2, COA of Formula: C7H6Cl2.
Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics