Zhao, Li-Xia; Peng, Jian-Feng; Liu, Feng-Yi; Zou, Yue-Li; Gao, Shuang; Fu, Ying; Ye, Fei published the artcile< Design, Synthesis, and Herbicidal Activity of Diphenyl Ether Derivatives Containing a Five-Membered Heterocycle>, Product Details of C6H4F3N, the main research area is herbicide phenoxypyridine heterocycle derivative preparation protoporphyrinogen oxidase inhibitor; PPO; cumulative analysis; diphenyl ether derivatives; field trial; greenhouse herbicidal activity; molecular docking.
Protoporphyrinogen oxidase (PPO, EC 1.3.3.4) is an important target for discovering novel herbicides, and it causes bleaching symptoms by inhibiting the synthesis of chlorophyll and heme. In this study, the active fragments of several com. herbicides were joined by substructure splicing and bioisosterism, and a series of novel di-Ph ether derivatives containing five-membered heterocycles were synthesized. The greenhouse herbicidal activity and the PPO inhibitory activity in vitro were discussed in detail. The results showed that most compounds had good PPO inhibitory activity, and target compounds containing trifluoromethyl groups tended to have higher activity. Among them, compound (I) showed the best inhibitory activity, with a half-maximal inhibitory concentration (IC50) of 0.0468 μmol/L, which was approx. 3 times better than that of oxyfluorfen (IC50 = 0.150 μmol/L). In addition, mol. docking indicated that compound I formed obvious π-π stacking interactions and hydrogen bond interactions with PHE-392 and ARG-98, resp. Remarkably, compound I had good safety for corn, wheat, rice, and soybean, and the cumulative concentration in crops was lower than that of oxyfluorfen. Therefore, compound I can be used to develop potential lead compounds for novel PPO inhibitors.
Journal of Agricultural and Food Chemistry published new progress about Abutilon theophrasti. 3796-23-4 belongs to class pyridine-derivatives, and the molecular formula is C6H4F3N, Product Details of C6H4F3N.