Synthesis and crystal structure of ethyl 2-[4-(acetylamino)phenoxy]-2- methylpropanoate, a potential anti-inflammatory and antidyslipidemic hybrid

Navarrete-Vázquez G.; Torres-Gómez H.; Guerrero-álvarez J.; Tlahuext H.

首页> 外文期刊>Journal of chemical crystallography >Synthesis and crystal structure of ethyl 2-[4-(acetylamino)phenoxy]-2- methylpropanoate, a potential anti-inflammatory and antidyslipidemic hybrid

【24h】

Synthesis and crystal structure of ethyl 2-[4-(acetylamino)phenoxy]-2- methylpropanoate, a potential anti-inflammatory and antidyslipidemic hybrid

机译：2- [4-（乙酰氨基）苯氧基] -2-甲基丙酸乙酯的合成和晶体结构，一种潜在的抗炎和抗血脂异常的杂种

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

The compound ethyl 2-[4-(acetylamino)phenoxy]-2-methylpropanoate (acetamidofibrate) was prepared by reaction of paracetamol with ethyl 2-bromo-2-methylpropionate. It was characterized by elemental analysis, NMR (1H, 13C) spectroscopy, and single-crystal X-ray diffraction. This compound is of interest with respect to its potential bioactivity as analgesic and antidyslipidemic agent. The compound crystallizes in the monoclinic space group P2(1)/c with unit cell dimensions a = 8.2435(8), b = 9.3390(9), c = 18.2823(18) ?, β = 91.123(2)°, V = 1407.2(2) ?3, Z = 4, R _1 = 0.0465, and wR _2 = 0.1055. The crystal structure is stabilized by N-H?O = C and C-H?O hydrogen-bonding interactions that interconnect molecules into chains running along b axis. The preliminary in silico screening shown that title compound could posse's antidiabetic, anti-inflammatory, hypolipemiant and anti-atherosclerosis effects. Graphical Abstract: The title compound was synthesized and characterized by elemental analysis, 1H and 13C NMR and single-crystal X-ray diffraction. This compound is of interest with respect to its potential bioactivity as analgesic and antidyslipidemic agent.

机译：通过对乙酰氨基酚与2-溴-2-甲基丙酸乙酯反应，制备化合物2- [4-（乙酰氨基）苯氧基] -2-甲基丙酸乙酯（乙酰氨基纤维酸酯）。通过元素分析，NMR（1H，13C）光谱和单晶X射线衍射对其进行表征。就其作为止痛剂和抗血脂异常剂的潜在生物活性而言，该化合物是令人感兴趣的。该化合物在单斜晶空间群P2（1）/ c中结晶，晶胞尺寸为a = 8.2435（8），b = 9.3390（9），c = 18.2823（18）α，β= 91.123（2）°，V = 1407.2（2）α3，Z = 4，R _1 = 0.0465，wR _2 = 0.1055。 N-H2O = C和C-H2O氢键相互作用使分子相互连接成沿b轴延伸的链，从而使晶体结构稳定。初步的计算机筛选表明，标题化合物具有抗糖尿病，抗炎，降血脂和抗动脉粥样硬化的作用。图形摘要：合成了标题化合物，并通过元素分析，1H和13C NMR和单晶X射线衍射对其进行了表征。就其作为止痛剂和抗血脂异常剂的潜在生物活性而言，该化合物是令人感兴趣的。

著录项

来源
《Journal of chemical crystallography》 |2011年第5期|共5页
作者
Navarrete-Vázquez G.; Torres-Gómez H.; Guerrero-álvarez J.; Tlahuext H.;
展开▼
作者单位

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类晶体学;
关键词
Antidislypidemic activity; Crystal structure; Fibrates; Hydrogen bonds;

机译：抗溶血活性;晶体结构;纤维状;氢键;

相似文献

外文文献
中文文献
专利

1. Synthesis and crystal structure of ethyl 2-[4-(acetylamino)phenoxy]-2- methylpropanoate, a potential anti-inflammatory and antidyslipidemic hybrid [J] . Navarrete-Vázquez G., Torres-Gómez H., Guerrero-álvarez J., Journal of chemical crystallography . 2011,第5期

机译：2- [4-（乙酰氨基）苯氧基] -2-甲基丙酸乙酯的合成和晶体结构，一种潜在的抗炎和抗血脂异常的杂种
2. Biomolecular docking, synthesis, crystal structure, and bioassay studies of 1-[4-(2-chloroethoxy)phenyl]-5-[4-(methylsulfonyl) phenyl]-1H-tetrazole and 2-(4-(5-(4-(methylsulfonyl)phenyl)-1H-tetrazol-1-yl)phenoxy)ethyl nitrate [J] . Al-Hourani Baker Jawabrah, El-Barghouthi Musa I, Al-Awaida Wajdy, Journal of Molecular Structure . 2020,第1期

机译：1- [4-（2-氯乙烯）苯基] -5- [4-（甲基磺酰基）苯基] -1H-四唑和2-（4-（5-（5-（4 - （甲基磺酰基）苯基）-1H-四唑-1-基）苯氧基）乙酸乙酯
3. Design and microwave facilitated green synthesis of 2-[4-(3-carboxymethyl, methoxy carbonylmethyl-2,4-dioxo and 4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-phenoxy]-2 and 3-methyl propionic acid ethyl ester derivatives: a novel structural class of antidyslipidemic agents [J] . Singh Ashok Kumar, Tripathi Avinash C., Tewari Aseem, Medicinal chemistry research: an international journal for rapid communications on design and mechanisms of action of biologically active agents . 2017,第7期

机译：设计和微波促进2- [4-（3-羧甲基，甲氧基甲基甲基-2,4-二氧氧基和4-氧代-2-硫代氧基氨苄蛋白-5-甲基甲基）-phenOxy] -2和3-甲基丙蛋白的绿色合成的绿色合成酸性乙酯衍生物：一种新型的抗体胰养质剂的结构类
4. Electrochemical Reduction of Ethyl 2-(2-(Bromomethyl)Phenoxy)Acetate at Carbon Cathodes in DMF Affected By the Presence of Oxygen [C] . Chang Ji, Tamir Simon, Antonio Vasquez, Meeting of the Electrochemical Society;International Meeting on Chemical Sensors . 2020

机译：通过氧气存在影响的DMF中碳阴极的2-（2-（溴甲基）苯氧基）乙酸乙酯的电化学还原
5. Poly (2-(acetoacetoxy) ethyl methacrylate): Environmentally Friendly Synthesis, Fluorescent Properties and Optical Sensing for Ammonia. [D] . He, Jing. 2012

机译：聚（2-（乙酰乙酰氧基）甲基丙烯酸乙酯）：环保的合成方法，荧光性质和氨的光学传感。
6. Sterol 14α−Demethylase Structure-Based Design of VNI ((R)-N−(l- (24-Dichlorophenyl)-2-(1H−imidazol-1-yl)ethyl)-4-(5-phenyl-134- oxadiazol-2-yl)benzamide)) Derivatives To Target Fungal Infections: Synthesis Biological Evaluation and Crystallographic Analysis [O] . Laura Friggeri, Tatiana Y. Hargrove, Zdzislaw Wawrzak, -1

机译：基于甾醇14α-脱甲基酶结构的VNI（（R）-N-（1-（24-二氯苯基）-2-（1H-咪唑-1-基）乙基）-4-（5-苯基-1） 34- oxadiazol-2-yl）benzamide））衍生物靶向真菌感染：合成生物学评估和晶体学分析
7. Synthesis and crystal structure of ethyl 2-{5-[2-(2,6-dichlorophenylamino)benzyl]-4-p-tolyl-4H-1,2,4-triazol-3-ylthio}acetate [O] . Nikhath, Fathima, Noor Shahina Begum, ., Gurubasavaraj, V.P. 2014

机译：2- {5- [2-（2,6-二氯苯基氨基）苄基] -4-对 - 甲苯基-4H-1,2-乙基的合成和晶体结构， 4-三唑-3-基硫基}乙酸乙酯

Synthesis and crystal structure of ethyl 2-[4-(acetylamino)phenoxy]-2- methylpropanoate, a potential anti-inflammatory and antidyslipidemic hybrid

摘要

著录项

相似文献

相关主题

期刊订阅