3-(5-Fluoropyridin-3-yl)-5-methyl-1,2,4-oxadiazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(5-Fluoropyridin-3-yl)-5-methyl-1,2,4-oxadiazole
• 英文别名: 3-(5-fluoropyridin-3-yl)-5-methyl-1,2,4-oxadiazole
• 化学式: C₈H₆FN₃O
• 分子量: 179.15
• InChiKey: WWSQENKNNNVODV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  5

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。
• Heteroaryl allosteric modulators of nicotinic acetylcholine receptors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US11198687B2

  公开（公告）日：2021-12-14

  The present disclosure relates to compounds of formula I that are useful as modulators of 7 nAChR, compositions comprising such compounds, and the use of such compounds for preventing, treating, or ameliorating disease, particularly disorders of the central nervous system such as cognitive impairments in Alzheimer's disease, Parkinson's disease, and schizophrenia, as well as for L-DOPA induced-dyskinesia and inflammation (I).

  本公开涉及可用作 7 nAChR 调节剂的式 I 化合物、包含此类化合物的组合物，以及使用此类化合物预防、治疗或改善疾病，特别是中枢神经系统疾病，如阿尔茨海默病、帕金森病和精神分裂症中的认知障碍，以及 L-DOPA 诱导的运动障碍和炎症 (I)。
• HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS
  申请人：Merck Sharp & Dohme LLC

  公开号：EP3684357B1

  公开（公告）日：2022-12-28
• US9145405B2
  申请人：——

  公开号：US9145405B2

  公开（公告）日：2015-09-29