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Structural chemistry and anti-inflammatory activity of flexible/restricted phenyl dimers
Journal of the Iranian Chemical Society ( IF 2.2 ) Pub Date : 2020-01-13 , DOI: 10.1007/s13738-020-01853-x
Ved Prakash Singh , Jayanta Dowarah , Ashish Kumar Tewari , David K. Geiger

Three phenyl dimer compounds, namely 3,3′-Diformyldiphenoxyethane (C16H14O4) (1), 1-(4-[2-(4-Acetyl-phenoxy)-ethoxy]-phenyl)-ethanone (C17H16N2O3) (2), 1-{4-[2-(4-Acetyl-phenoxymethyl)-benzyloxy]-phenyl}-ethanone (C24H22O4) (3), were obtained and fully characterized, including their crystal structure determinations. The structural properties of two compounds 4, 4-(ethylenedioxy)dibenzaldehyde) (C16H14O4) (Tewari et al. Acta Cryst. E63:o1930, 2007) [1] (4) and 4-(2-Phenoxy-ethoxy)-benzaldehyde (C15H14O3) (Valgera et al. CCDC 710835, 2016) [2] (5) are discussed with the role of the substituent in crystal packing. In vivo, anti-inflammatory activities of all compounds were studied on Wistar strain albino rats. All the compounds exhibited anti-inflammatory activity except 5. Compounds 1, 2, 4 have shown moderate-to-intermediate effects on inhibitory properties. Compound (3) with restricted rotation in the compound-like SC-558 drug was shown to possess good inhibitory properties at 180 min. In silico analysis was performed and compared with experimental in vivo results.

中文翻译:

柔性/限制性苯基二聚体的结构化学和抗炎活性

三种苯基二聚体化合物,即3,3'-二甲酰基二苯氧基乙烷(C 16 H 14 O 4)(1),1-(4- [2-(4-乙酰基-苯氧基)-乙氧基]-苯基)-乙酮(C 17 H 16 N 2 O 3)(2),1- {4- [2-(4-乙酰基-苯氧基甲基)-苄氧基]-苯基}-乙酮(C 24 H 22 O 4)(3)表征,包括其晶体结构的确定。两种化合物4、4 ' -(亚乙基二氧基)二苯甲醛)(C 16 H 14 O 4)的结构性质)(Tewari等,Acta Cryst。E63:o1930,2007)[1](4)和4-(2-Phenoxy-ethoxy)-benzaldehyde(C 15 H 14 O 3)(Valgera等,CCDC 710835,2016 )[2](5)讨论了取代基在晶体堆积中的作用。在体内,在Wistar白化病大鼠身上研究了所有化合物的抗炎活性。除5外,所有化合物均表现出抗炎活性。化合物1、2、4对抑制性能显示出中等到中等的影响。复合(3在化合物样SC-558药物中旋转受限)显示在180分钟时具有良好的抑制特性。进行了计算机分析,并与体内实验结果进行了比较。
更新日期:2020-01-13
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