Diwakar, Kirti published the artcileFacile synthesis, molecular docking and toxicity studies of 4-Phenyl-3-phenylamino-4H-[1,2,4]thiadiazol-5-one analogs as GABAA receptor agonists, Product Details of C7H7ClN2S, the publication is Medicinal Chemistry Research (2016), 25(11), 2631-2642, database is CAplus.
A series of thiadiazol-5-one derivatives I (Ar = 3,4-(Cl)2C6H3, 4-FC6H4, 4-MeC6H4, etc.) were synthesized by a simple method and their structures were established by phys. and spectroscopic methods. Log P value and in vitro hydrolysis, in simulated gastric fluid and simulated intestinal fluid, of all the compounds were determined by standard methods. Synthesized 1,2,4-thiadiazolines were screened for their anticonvulsant activity against maximal electroshock method and isoniazid induced seizures and all the compounds showed good anticonvulsant activity. The compound I (Ar = 3,4-(Cl)2C6H3) was found to be the most potent member of the series. Mol. docking studies of the synthesized compounds depicted their stable ligand-receptor complex conformation with the typical binding pocket of γ-aminobutyric acid A receptor protein. Compound I (Ar = 3,4-(Cl)2C6H3) confined its effect in the mol. docking studies also by non-covalent interactions with Tyr 157, Phe 200 and Tyr 205, the key interacting residues of γ-aminobutyric acid A receptor protein 4COF. In silico absorption, distribution, metabolism and elimination performance of all the compounds also appear to favor anticonvulsant effect. “LAZAR” and “OSIRIS” property explorer predicted nontoxic, nonmutagenic, noncarcinogenic, etc. nature for all the compounds In conclusion, some γ-aminobutyric acid A receptor agonists have been synthesized in this study with promising drug-like properties, which merit further development.
Medicinal Chemistry Research published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Product Details of C7H7ClN2S.
Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics