Temesgen Ayalew W, Luong Minh Duc, Truong Hong Hieu, Nguyen Van Tuyen, Dang Thi Tuyet Anh, Le Tuan Anh, Tskhovrebov Alexander G, Khrustalev Victor N
Department of Chemistry, College of Natural and Computational Sciences, University of Gondar, 196 Gondar, Ethiopia.
Faculty of Chemistry, VNU University of Science, Vietnam National University, Hanoi, 334 Nguyen Trai, Hanoi, 100000, Vietnam.
Acta Crystallogr E Crystallogr Commun. 2020 Nov 20;76(Pt 12):1851-1853. doi: 10.1107/S2056989020015194. eCollection 2020 Dec 1.
The title compound, CHNOS, obtained by alkaline treatment of 1,5-bis-(1-phen-oxy)-3-aza-pentane at moderate heating, is a -tosyl-ated secondary vinyl-amine. An intra-molecular S=O⋯H-C hydrogen bond generates a 13-membered ring. The benzalacetone moiety adopts a conformation with respect to the C=C double bond, which is slightly longer than usual due to the conjugation with a neighbouring acetyl group. Theoretical predictions of potential biological activities were performed, suggesting that the title compound can inhibit gluconate 2-de-hydrogenase (85% probability), as well as to act as a mucomembranous protector (73%).
通过在适度加热下用碱处理1,5-双-(1-苯氧基)-3-氮杂戊烷得到的标题化合物CHNOS是一种对甲苯磺酰化的仲乙烯基胺。分子内的S=O⋯H-C氢键形成了一个13元环。苯亚甲基丙酮部分相对于C=C双键采取一种构象，由于与相邻乙酰基的共轭作用，该双键比通常情况下略长。进行了潜在生物活性的理论预测，表明标题化合物可以抑制葡萄糖酸2-脱氢酶（概率为85%），以及作为一种粘膜保护剂（概率为73%）。
