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 of 499-75-2 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, 5-Isopropyl-2-methylphenol (cas: 499-75-2Application of 499-75-2).
5-Isopropyl-2-methylphenol (cas: 499-75-2) belongs to alcohols. Alcohols are among the most common organic compounds. They are used as sweeteners and in making perfumes, are valuable intermediates in the synthesis of other compounds, and are among the most abundantly produced organic chemicals in industry. Under carefully controlled conditions, simple alcohols can undergo intermolecular dehydration to give ethers. This reaction is effective only with methanol, ethanol, and other simple primary alcohols.Application of 499-75-2
Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts