Computed Properties of C7H5ClN2SOn September 30, 2022 ,《Six-substituted benzothiazole based dispersed azo dyes having antipyrine moiety: synthesis, characterization, DFT, antimicrobial, anticancer and molecular docking studies》 was published in Journal of the Iranian Chemical Society. The article was written by Maliyappa, M. R.; Keshavayya, J.; Nazrulla, Mohammed Azeezulla; Sudhanva, M. S.; Rangappa, Shobith. The article contains the following contents:
A series of benzothiazole based dispersed azo compounds I [R = H, Cl, Me, etc.] were synthesized by diazotization of benzothiazole derivatives coupling with antipyrine through traditional electrophilic substitution reaction in the temperature range of 0-5°C. The chem. structure of the prepared mols. I was characterized by various anal. and spectroscopic techniques. Further, the theor. vibrational and structural optimization studies of the mols. I were investigated by using DFT/B3LYP method. All the synthesized azo dyes I were evaluated for their in vitro antimicrobial activities against various bacterial and fungal strains, and the obtained results were exhibited to be potent antimicrobial activities compared with the reference compound Further, the mol. docking studies was performed and results showed the possible interaction between the synthesized chem. compound and the receptor. In addition, the in vitro anticancer activity of all the synthesized azo dyes was performed against different human cancer cell lines such as A549, K562 and MDA-MB-231 by using MTT assay.6-Chlorobenzothiazol-2-ylamine(cas: 95-24-9Computed Properties of C7H5ClN2S) was used in this study.
6-Chlorobenzothiazol-2-ylamine(cas: 95-24-9) belongs to thiazoles. Thiazoles are a class of five-membered rings containing nitrogen and sulfur with excellent antitumor, antiviral and antibiotic activities.Computed Properties of C7H5ClN2SThiazoles can also be used as protected formyl groups, which can be released in later stages of complex natural product synthesis.
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica