《Structural optimization of imidazothiazole derivatives affords a new promising series as B-Raf V600E inhibitors; synthesis, in vitro assay and in silico screening》 was written by Ammar, Usama M.; Abdel-Maksoud, Mohammed S.; Ali, Eslam M. H.; Mersal, Karim I.; Ho Yoo, Kyung; Oh, Chang-Hyun. COA of Formula: C6H4Cl2O2S And the article was included in Bioorganic Chemistry in 2020. The article conveys some information:
In this study, based on structural optimization of previously reported inhibitors (3-fluro substituted derivatives of imidazo[2,1-b]thiazole-based scaffold), sixteen new imidazo[2,1-b]thiazole derivatives with m-nitrophenyl group at position 6 I (n = 1, 2; Ar = 3-fluorophenyl, 4-chlorophenyl, 1-naphthyl, etc.) were designed and synthesized. The electron withdrawing properties were reserved while the polarity was modified in comparison to the previously synthesized compounds (-F). Furthermore, the new substituted group (-NO2) provided an addnl. H-bond acceptor(s) which may bind with the target enzyme through addnl. interaction(s). In vitro cytotoxicity evaluation was performed against human cancer cell line (A375). In addition, in vitro enzyme assay was performed against mutated B-Raf (B-Raf V600E). Compounds I (n = 2; Ar = 3-fluorophenyl, 4-fluorophenyl, 4-bromophenyl) showed highest activity on mutated B-Raf with IC50 0.021, 0.035 and 0.020μM. All target compounds were tested for in vitro cytotoxicity against NCI 60 cell lines. Compounds (n = 2; Ar = 3-fluorophenyl, 4-fluorophenyl) were selected for 5 doses test mode. Moreover, in silico mol. simulation was explored in order to explore the possible interactions between the designed compounds and the B-Raf V600E active site. The experimental process involved the reaction of 4-Chlorobenzenesulfonyl chloride(cas: 98-60-2COA of Formula: C6H4Cl2O2S)
4-Chlorobenzenesulfonyl chloride(cas: 98-60-2) belongs to organochlorine compounds. Many organochlorine compounds have been isolated from natural sources ranging from bacteria to humans. COA of Formula: C6H4Cl2O2S Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics