2-(甲硫基)-5-(吡啶-4-基)-1,3,4-恶二唑 | 2951-21-5

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 2-(甲硫基)-5-(吡啶-4-基)-1,3,4-恶二唑
• 英文名称: 2-(methylthio)-5-(pyridin-4-yl)-1,3,4-oxadiazole
• 英文别名: 2-Methylmercapto-5--1,3,4-oxdiazol；2-(methylthio)-5-(4-pyridyl)-1,3,4-oxadiazole；4-(5-methylsulfanyl-[1,3,4]oxadiazol-2-yl)-pyridine；4-(methylsulfanyl-[1,3,4]oxadiazol-2-yl)-pyridine；4-(Methylmercapto-[1,3,4]oxadiazol-2-yl)-pyridin；2-methylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole
• CAS: 2951-21-5
• 化学式: C₈H₇N₃OS
• 分子量: 193.229
• InChiKey: UBCGDHKEHMROQX-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：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  77.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(甲硫基)-5-(吡啶-4-基)-1,3,4-恶二唑 在 potassium permanganate 、 溶剂黄146 作用下， 生成 5-(吡啶-4-基)-1,3,4-噁二唑-2(3H)-酮 、 4-(methanesulfonyl-[1,3,4]oxadiazol-2-yl)-pyridine
  参考文献：
  名称：

  Yoshida; Asai, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 951

  摘要：

  DOI：
• 作为产物：
  描述：

  异烟肼 在 吡啶 、 sodium hydroxide 作用下， 生成 2-(甲硫基)-5-(吡啶-4-基)-1,3,4-恶二唑
  参考文献：
  名称：

  Yoshida; Asai, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 951

  摘要：

  DOI：

文献信息

• GSK-3BETA INHIBITOR
  申请人：Kori Masakuni

  公开号：US20110039893A1

  公开（公告）日：2011-02-17

  For the purpose of providing a GSK-3β inhibitor containing a 2-aminopyridine compound or a salt thereof or a prodrug thereof useful as an agent for the prophylaxis or treatment of a GSK-3β-related pathology or disease, the present invention provides a GSK-3β inhibitor containing a compound represented by the formula (IA): wherein each symbol is as defined in the specification. or a salt thereof or a prodrug thereof.

  为了提供一种含有2-氨基吡啶化合物或其盐或其前药的GSK-3β抑制剂，用作GSK-3β相关病理或疾病的预防或治疗剂，本发明提供了一种含有由下式（IA）表示的化合物的GSK-3β抑制剂： 其中每个符号如规范中定义。 或其盐或其前药。
• Synthesis, Characterization, and Tuberculostatic Activity of Novel Heterocyclic Compounds Derived from Dimethyl Heteroaroylcarbonohydrazonodithioates
  作者：Katarzyna Gobis、Henryk Foks、Ewa Augustynowicz-Kopeć、Agnieszka Napiórkowska

  DOI：10.3987/com-12-12524

  日期：——

  A series of dimethyl heteroaroylcarbonohydrazonodithioates (1-5) has been synthesized from various heterocyclic carbohydrazides. N'-(Cycloalkyldiamin-2-ylidene)heteroaroylhydrazides (9-20) were obtained by the substitution of dimethyl heteroaroylcarbonohydrazonodithioates with respective diamines in EtOH or dioxane. In water the substitution was followed by cyclization to 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidines (21-23). The compounds obtained were tested in vitro towards M tuberculosis standard strain (H(37)Rv) and two "wild" strains, susceptible (Spec. 192) and resistant (Spec. 210). MIC values for all the compounds tested were within 25-100 mu g/mL which indicated their activity lower than reference drugs used (INH, PZA).
• A novel one-pot synthesis of 2-alkylthio-1,3,4-oxadiazoles in water
  作者：F. Aryanasab、H. Maleki、M. R. Saidi

  DOI：10.1007/bf03249086

  日期：2011.6

  A facile and one-pot protocol for the synthesis of 2-alkylthio-1,3,4-oxadiazoles is reported. This green method relies on the reaction of acid hydrazides with CS2 and an alkyl halide. The reaction is carried out under mild and environmentally friendly procedure in water with high to excellent yields. Thirteen different valuable alkylthio-1,3,4-oxadiazoles are synthesized from cheap and easily available CS2 with this method. This is the first report for the synthesis of 1,3,4-oxadiazoles in water.
• Yoshida; Asai, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1954, vol. 74, p. 951
  作者：Yoshida、Asai

  DOI：——

  日期：——