Nizamuddin, N. D.; Abdul Ahad, Hindustan; Devanna, Nayakanti published the artcile< Synthesis and molecular docking studies of some 1,2-dimethyl-3(4-substituted phenyl-1,3-thiazol-2-yl)2,3-dihydroquinazolin-4(1H)-ones as anticancer agents>, Synthetic Route of 57493-24-0, the main research area is dimethyl phenyl thiazolyl dihydroquinazolinone preparation mol docking.
Synthesis of 1, 2-dimethyl-3(4-substituted phenyl-1,3-thiazol-2-yl)2,3-dihydro quinazolin-4(1H)-ones derivatives I [R = 4-Me, 2-OH, 4-Cl, etc.] was effected by refluxing 1,2-dimethylbenzoxazine-4-one with different 4-substituted phenyl-1,3-thiazol-2-amines. Synthesized compoundsI were characterized through elemental anal., IR, proton NMR, and Carbon-13 NMR. Mol. docking studies were carried out using Schrodinger Glide (version 2020_1) which was docked into selective P38alpha and Activin A Receptor Type 1 (ACVR1) Activin receptor-like kinase-2 (ALK2) kinase with Protein Data Bank (PDB) code 3GC7, 6GI6. Based on the docking score of synthesized quinazolin-4-one derivatives, I co-crystallized ligands interaction was evaluated with 5-fluorouracil (5-FU) as a reference drug. Compounds I [R = H, 4-MeO, 3-NH2, 2,4-OH] with P38alpha, I [R = 2-OH, 3-NH2, 4-Cl, 2,4-OH] with ACVR1 (ALK2) kinase score were -7.265, -7.078, -7.058 and -6.836; -8.929, -8.749, -8.735 and -8.464 Kcal/mol against enzymes responsible for cancer treatment. The results indicated that quinazolin-4-one derivatives I scored better than ligand and 5-FU.
Indian Journal of Heterocyclic Chemistry published new progress about Acetophenones Role: RCT (Reactant), RACT (Reactant or Reagent). 57493-24-0 belongs to class thiazole, and the molecular formula is C9H7N3O2S, Synthetic Route of 57493-24-0.
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica