Synthesis, Antifungal Activity and 3D-QSAR Study of Novel Anisaldehyde-Derived Amide-Thiourea Compounds was written by Li, Rong;Cen, Bo;Duan, Wengui;Lin, Guishan. And the article was included in Chemistry & Biodiversity in 2022.Related Products of 2253-73-8 The following contents are mentioned in the article:
Succinate dehydrogenase (SDH) is an important target enzyme for designing agricultural chem. fungicides. In order to explore novel natural product-based antifungal agents, twenty-one unreported anisaldehyde-derived amide-thiourea compounds I (R = Me, cyclohexyl, Ph, etc.) were designed and synthesized using the principle of active splicing, and structurally confirmed. In vitro antifungal activity of the target compounds was evaluated by the agar dilution method. The results showed that some target compounds exhibited better or comparable antifungal activity than that of the com. fungicide chlorothalonil, in which compounds I (R = 3-nitrophenyl, 4-chlorophenyl, Me) displayed excellent antifungal activity of 92.6%, 92.6% and 99.1% against P. piricola, resp., better than that of the pos. control. In addition, 3D-QSAR anal. was carried out by the CoMFA method to reveal the relationship between the structures of the target compounds and their inhibitory activities. The simulative binding mode of the target compounds and SDH was also studied by mol. docking. This study involved multiple reactions and reactants, such as Isopropylisothiocyanate (cas: 2253-73-8Related Products of 2253-73-8).
Isopropylisothiocyanate (cas: 2253-73-8) belongs to esters. Esters are widespread in nature and are widely used in industry. In nature, fats are in general triesters derived from glycerol and fatty acids. Esters are responsible for the aroma of many fruits. Esters contain a carbonyl center, which gives rise to 120° C–C–O and O–C–O angles. Unlike amides, esters are structurally flexible functional groups because rotation about the C–O–C bonds has a low barrier. Their flexibility and low polarity is manifested in their physical properties; they tend to be less rigid (lower melting point) and more volatile (lower boiling point) than the corresponding amides. Related Products of 2253-73-8
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics