3-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazol-5-yl]phenoxy]ethoxy]-5-(trifluoromethyl)-1,2,4-oxadiazole

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-[2-[2,6-dimethyl-4-[5-(trifluoromethyl)-2H-1,2,4-oxadiazol-5-yl]phenoxy]ethoxy]-5-(trifluoromethyl)-1,2,4-oxadiazole
• 化学式: C₁₆H₁₄F₆N₄O₄
• 分子量: 440.3
• InChiKey: YBJCDURXPCEQQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  91
• 氢给体数：
  1
• 氢受体数：
  13

文献信息

• OXADIAZOLE COMPOUND AND PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF
  申请人：SHANGHAI JIAO TONG UNIVERSITY

  公开号：US20140350026A1

  公开（公告）日：2014-11-27

  The present invention provides an anti-Coxsackie virus oxadiazole compound as represented by formula (I), or the pharmaceutically acceptable salt thereof, a preparation method, a pharmaceutical composition, and use thereof, wherein R is CH3 or CF3; R′ and R″ are respectively H, alkyl or halogen; A is O or S; n is a number from 1 to 6; X is O, S or NH; Y is alkyl, unsubstituted cycloalkyl, mono-substituted cycloalkyl, disubstituted cycloalkyl, poly-substituted cycloalkyl, unsubstituted aryl, mono-substituted aryl, disubstituted aryl, poly-substituted aryl, unsubstituted 5-6 membered heterocyclyl, mono-substituted 5-6 membered heterocyclyl, disubstituted 5-6 membered heterocyclyl, or poly-substituted 5-6 membered heterocyclyl. Compared to prior art, the oxadiazole compound of the present invention has excellent anti-Coxsackie virus activity, lower toxicity and high safety.

  本发明提供了一种抗柯萨奇病毒的噁二唑化合物，其化学式为（I）或其药学上可接受的盐，以及其制备方法、制药组合物和用途。其中，R为CH3或CF3；R'和R"分别为H、烷基或卤素；A为O或S；n为1至6的数字；X为O、S或NH；Y为烷基、未取代的环烷基、单取代的环烷基、双取代的环烷基、多取代的环烷基、未取代的芳基、单取代的芳基、双取代的芳基、多取代的芳基、未取代的5-6元杂环基、单取代的5-6元杂环基、双取代的5-6元杂环基或多取代的5-6元杂环基。与现有技术相比，本发明的噁二唑化合物具有优异的抗柯萨奇病毒活性，毒性较低，安全性高。
• US9145405B2
  申请人：——

  公开号：US9145405B2

  公开（公告）日：2015-09-29