777-12-8, Name is 6-(Trifluoromethyl)benzo[d]thiazol-2-amine, molecular formula is C8H5F3N2S, belongs to thiazole compound, is a common compound. In a patnet, once mentioned the new application about 777-12-8, Computed Properties of C8H5F3N2S
DYRK1A has emerged as a potential target for therapies of Alzheimer’s disease using small molecules. On the basis of the observation of selective DYRK1A inhibition by firefly d-luciferin, we have explored static and dynamic structural properties of fragment sized variants of the benzothiazole scaffold with respect to DYRK1A using X-ray crystallography and NMR techniques. The compounds have excellent ligand efficiencies and show a remarkable diversity of binding modes in dynamic equilibrium. Binding geometries are determined in part by interactions often considered “weak”, including “orthogonal multipolar” types represented by, for example, F-CO, sulfur-aromatic, and halogen-aromatic interactions, together with hydrogen bonds that are modulated by variation of electron withdrawing groups. These studies show how the benzothiazole scaffold is highly promising for the development of therapeutic DYRK1A inhibitors. In addition, the subtleties of the binding interactions, including dynamics, show how full structural studies are required to fully interpret the essential physical determinants of binding.
Balanced chemical reaction does not necessarily reveal either the individual elementary reactions by which a reaction occurs or its rate law.Computed Properties of C8H5F3N2S. In my other articles, you can also check out more blogs about 777-12-8
Reference：
Thiazole | C3H6717NS – PubChem,
Thiazole | chemical compound | Britannica