Nitrile groups in organic compounds can undergo a variety of reactions depending on the reactants or conditions. 20099-89-2, formula is C9H6BrNO, Name is 4-(2-Bromoacetyl)benzonitrile. A nitrile group can be hydrolyzed, reduced, or ejected from a molecule as a cyanide ion. Quality Control of 20099-89-2.
Osmaniye, Derya;Karaca, Sevval;Kurban, Berkant;Baysal, Merve;Ahmad, Iqrar;Patel, Harun;Ozkay, Yusuf;Asim Kaplancikli, Zafer research published 《 Design, synthesis, molecular docking and molecular dynamics studies of novel triazolothiadiazine derivatives containing furan or thiophene rings as anticancer agents》, the research content is summarized as follows. In this study, new triazolothiadiazine derivatives I [X = O, S; R = H, Me, MeO, Cl; R1 = H, Cl; R2 = H, Me, MeO, etc.] were synthesized and their anticancer activities were investigated. Compounds I [X = O, R = R2 = Cl, R1 = H; X = S, R = H, Cl, R1 = H, R2 = Cl] showed inhibitor activity against MCF-7 cell line with IC50 = 4.63 ± 0.10; 2.23 ± 0.16; 3.13 ± 0.08μM value, resp. As a result of in-vitro aromatase enzyme inhibition test, compound I [X = S, R = R1 = H, R2 = Cl] was the most active derivative with IC50 = 0.058 ± 0.023μM. In addition, DNA synthesis inhibition percentages of the compounds I were measured by the BrdU method. The intermol. interactions of the promising compounds I with aromatase enzyme were investigated through the SP docking approach, which revealed significant binding interaction energies associated with these compounds Following that, the interaction’s stability was assessed using a typical atomistic 100 ns dynamic simulation study. A number of parameters derived from MD simulation trajectories were computed and validated for the protein-ligand complex’s stability under the dynamic conditions.
20099-89-2, 4-(2-Bromoacetyl)benzonitrile, also known as 2-Bromo-4′ -cyanoacetophenone, is a useful research compound. Its molecular formula is C9H6BrNO and its molecular weight is 224.05 g/mol. The purity is usually 95%.
2-Bromo-4′ -cyanoacetophenone can be synthesized from ethylbenzene via aerobic photooxidation using aqueous HBr.
4-(2-Bromoacetyl)benzonitrile is useful for the irreversible inhibitory activity of Glycogen synthase kinase 3 (GSK-3). Phenylhalomethylketones can be used in the study of novel GSK-3 inhibitors., Quality Control of 20099-89-2
Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts