Formula: C4H7NO2SIn 2022 ,《Design, Synthesis, Anticancer Evaluation, and Molecular Docking Studies of Thiazole-Pyrimidine Linked Amide Derivatives》 was published in Polycyclic Aromatic Compounds. The article was written by Bandaru, Chandra Mohan; Poojith, Nuthalapati; Jadav, Surender Singh; Basaveswara Rao, Mandava Venkata; Babu, K. Surendra; Sreenivasulu, Reddymasu; Alluri, Ramesh. The article contains the following contents:
A library of new amide-based thiazole-pyrimidines () was designed by considering vital pharmacophoric features of the potential multi-acting anticancer agents. The analogs were synthesized by linking with fused imidazo-pyrazole nucleus and confirmed their structures by 1H NMR, 13CNMR, and mass spectral anal. The newly designed thiazole-pyrimidine analogs were subjected to investigate against various human cancer cell lines such as A549 (lung), MCF-7 (breast), Colo-205 (colon), and A2780 (ovarian) by MTT (3-(4,5-Dimethylthiazol-2-yl)-2,5-Diphenyltetrazolium Bromide) assay technique. The anticancer screening data suggested that, the analogs with tri/di substitution are found to have much potential than mono-substituted analogs. The and depicted maximum anti-cancer activity against all of the tested cell lines and superior than reference standard Etoposide. Furthermore, the mol. interaction anal. against different enzymic targets such as ribonucleotide reductase (RR), epidermal growth factor reductase (EGFR), APC-asef (Adenomatous Polyposis Coli (APC) directly interacts with the Rho guanine nucleotide exchange factor 4 (Asef)) protein-protein interaction interface, and ATR kinase has been carried out to find the possible binding protein. The comparative binding energies and violin plot suggested the current series of analogs as potential ATR kinase binders. The required substantial interactions of and with active site residues of ATR kinase has been discussed by comparing with lowest active analogs. In addition, the ADMET parameters of the current analogs is also provided with drug likeness and druggability scores. The experimental process involved the reaction of Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1Formula: C4H7NO2S)
Ethyl 2-amino-2-thioxoacetate(cas: 16982-21-1) belongs to anime. The reaction of alkyl halides, R―X, where X is a halogen, or analogous reagents with ammonia (or amines) is useful with certain compounds. Not all alkyl halides are effective reagents; the reaction is sluggish with secondary alkyl groups and fails with tertiary ones. Its usefulness is largely confined to primary alkyl halides (those having two hydrogen atoms on the reacting site).Formula: C4H7NO2S
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