5-(pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-one | 61690-97-9

• 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: 5-(pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-one
• 英文别名: 5-(pyridin-3-yl)-1,3,4-oxadiazol-2(3H)-one；5-[3]pyridyl-3H-[1,3,4]oxadiazol-2-one；5-[3]Pyridyl-3H-[1,3,4]oxadiazol-2-on；5-(Pyridin-3-yl)-2,3-dihydro-1,3,4-oxadiazol-2-one；5-pyridin-3-yl-3H-1,3,4-oxadiazol-2-one
• CAS: 61690-97-9
• 化学式: C₇H₅N₃O₂
• 分子量: 163.136
• InChiKey: ACOVQKCTAPHNPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-(pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-one 、 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以7.45 %的产率得到3-(2,6-difluoro-4-(3-((5-(pyridin-3-yl)-1,3,4-oxadiazol-2-yl)amino)azetidin-1-yl)phenyl)piperidine-2,6-dione
  参考文献：
  名称：

  WO2024092039A1

  摘要：

  公开号：
• 作为产物：
  描述：

  5-(3-吡啶基)-1,3,4-噁二唑-2-硫醇 在 potassium phosphate 、 methyloxirane 作用下， 以 水 为溶剂， 生成 5-(pyridin-3-yl)-1,3,4-oxadiazole-2(3H)-one
  参考文献：
  名称：

  环氧丙烷辅助在水中一锅，串联合成取代的1,3,4-恶二唑-2（3 H）-ones

  摘要：

  已经开发了通过新颖的一锅式，串联方式和环氧丙烷辅助合成取代的1,3,4-恶二唑-2（3 H）-one衍生物的方法。从3个分子中分别获得5个取代的1,3,4-恶二唑-2（3 H）-one和3,5-个取代的1,3,4-恶二唑-2（3 H）-one酰基肼，二硫化碳和环氧丙烷的三组分反应，以及酰基hy嗪，二硫化碳，环氧丙烷和有机卤化物的四组分反应。在磷酸钾的存在下，以水为溶剂进行反应，以良好至优异的产率提供预期的产物。

  DOI：

  10.1016/j.tet.2012.07.004

文献信息

• Binary compositions as disruptors of orco-mediated odorant sensing
  申请人：VANDERBILT UNIVERSITY

  公开号：US10791739B2

  公开（公告）日：2020-10-06

  In one aspect, the invention relates to binary compositions that disrupt ORco-mediated odorant sensing. In particular, compounds and compositions are provided that can inhibit sensory (e.g., host targeting) functions in organisms that express ORco receptors such as airborne insects, e.g., mosquitoes, and ticks. Method of employing such agents, and articles incorporating the same, are also provided. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，本发明涉及破坏 ORco 介导的气味感应的二元组合物。特别是，本发明提供的化合物和组合物可以抑制表达 ORco 受体的生物（如空气传播的昆虫，如蚊子和蜱虫）的感官（如宿主靶向）功能。此外，还提供了使用这些制剂的方法以及包含这些制剂的物品。本摘要旨在作为一种扫描工具，用于特定技术领域的搜索，而非对本发明的限制。
• Chemotherapy of Experimental Tuberculosis. X. Heterocyclic Acyl Derivatives of Substituted Semicarbazides¹
  作者：Harry L. Yale、Kathryn A. Losee、Frances M. Perry、Jack Bernstein

  DOI：10.1021/ja01637a054

  日期：1954.4
• Antimycobacterial activity of new 3,5-disubstituted 1,3,4-oxadiazol-2(3H)-one derivatives. Molecular modeling investigations
  作者：Daniele Zampieri、Maria Grazia Mamolo、Erik Laurini、Maurizio Fermeglia、Paola Posocco、Sabrina Pricl、Elena Banfi、Giuditta Scialino、Luciano Vio

  DOI：10.1016/j.bmc.2009.04.055

  日期：2009.7

  3H-1,3,4-Oxadiazol-2-one derivatives were synthesized and tested for their in vitro antimycobacterial activity. Oxadiazolone derivatives showed an interesting antimycobacterial activity against the reference strain of Mycobacterium tuberculosis H37Rv. Molecular modeling investigations were performed and showed that the active compounds possess all necessary features to target the protein active site of the mycobacterial cytochrome P450-dependent sterol 14 alpha-demethylase in the sterol biosynthesis pathway as the calculated free energy of binding were in agreement with the corresponding MIC values. (C) 2009 Elsevier Ltd. All rights reserved.
• Dornow; Bruncken, Chemische Berichte, 1949, vol. 82, p. 121
  作者：Dornow、Bruncken

  DOI：——

  日期：——
• BINARY COMPOSITIONS AS DISRUPTORS OF ORCO-MEDIATED ODORANT SENSING
  申请人：VANDERBILT UNIVERSITY

  公开号：US20200390099A1

  公开（公告）日：2020-12-17

  In one aspect, the invention relates to binary compositions that disrupt ORco-mediated odorant sensing. In particular, compounds and compositions are provided that can inhibit sensory (e.g., host targeting) functions in organisms that express ORco receptors such as airborne insects, e.g., mosquitos, and ticks. Methods of employing such agents, and articles incorporating the same, are also provided. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.