Synthesis, Antifungal Activity, and 3D-QASR of Novel 1,2,3,4-Tetrahydroquinoline Derivatives Containing a Pyrimidine Ether Scaffold as Chitin Synthase Inhibitors was written by Zhang, Xiaoming;Yang, Zhaokai;Xu, Huan;Liu, Yuansheng;Yang, Xinling;Sun, Tengda;Lu, Xingxing;Shi, Fasheng;Yang, Qing;Chen, Wei;Duan, Hongxia;Ling, Yun. And the article was included in Journal of Agricultural and Food Chemistry in 2022.Application In Synthesis of Pyridin-4-ol This article mentions the following:
The introduction of active groups of natural products into the framework of pesticide mols. is an effective approach for discovering active lead compounds, and thus has been widely used in the development of new agrochems. In this work, a novel series of 1,2,3,4-tetrahydroquinoline derivatives containing a pyrimidine ether scaffold were designed and synthesized by the active substructure splicing method. The new compounds showed good antifungal activities against several fungi. Especially, compound (I) displayed excellent in vitro activity against Valsa mali and Sclerotinia sclerotiorum with EC50 values of 0.71 and 2.47 μg/mL, resp. I had slightly stronger inhibitory activity (68.08% at 50 μM) against chitin synthase (CHS) than that of polyoxin D (63.84% at 50 μM) and exhibited obvious curative and protective effects on S. sclerotiorumin vivo. Thus, I can be considered as a new candidate fungicide as a chitin synthase inhibitor. An accurate and reliable three-dimensional quant. structure-activity relationship (3D-QSAR) model presented a useful direction for the further excogitation of more highly active fungicides. Mol. docking revealed that the conventional hydrogen bond mainly affected the binding affinity of I with chitin synthase. The present results will provide a guidance to discover potential CHS-based fungicides for plant disease control in agriculture. In the experiment, the researchers used many compounds, for example, Pyridin-4-ol (cas: 626-64-2Application In Synthesis of Pyridin-4-ol).
Pyridin-4-ol (cas: 626-64-2) belongs to pyridine derivatives. Pyridine is diamagnetic and has a diamagnetic susceptibility of −48.7 × 10−6 cm3·mol−1.The molecular electric dipole moment is 2.2 debyes. The standard enthalpy of formation is 100.2 kJ·mol−1 in the liquid phase and 140.4 kJ·mol−1 in the gas phase. Many analogues of pyridine are known where N is replaced by other heteroatoms . Substitution of one C–H in pyridine with a second N gives rise to the diazine heterocycles (C4H4N2), with the names pyridazine, pyrimidine, and pyrazine.Application In Synthesis of Pyridin-4-ol