1-Methyl-5-methylthio-3-phenyl-1,2,4-triazol | 50369-47-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-Methyl-5-methylthio-3-phenyl-1,2,4-triazol
• 英文别名: 1-Methyl-5-(methylthio)-3-phenyl-1H-1,2,4-triazole；1-methyl-5-methylsulfanyl-3-phenyl-1,2,4-triazole
• CAS: 50369-47-6
• 化学式: C₁₀H₁₁N₃S
• 分子量: 205.283
• InChiKey: WUJXPLXQMNCTSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  56
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-Methyl-5-methylthio-3-phenyl-1,2,4-triazol 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 17.0h， 以78%的产率得到1-甲基-5-甲基亚磺酰-3-苯基-1,2,4-三唑
  参考文献：
  名称：

  Kane; Staeger; Dalton, Journal of Medicinal Chemistry, 1994, vol. 37, # 1, p. 125 - 132

  摘要：

  DOI：
• 作为产物：
  描述：

  2-甲基-5-苯基-2,4-二氢-[1,2,4]三唑-3-硫酮 、 碘甲烷 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以78%的产率得到1-Methyl-5-methylthio-3-phenyl-1,2,4-triazol
  参考文献：
  名称：

  Kane; Staeger; Dalton, Journal of Medicinal Chemistry, 1994, vol. 37, # 1, p. 125 - 132

  摘要：

  DOI：

文献信息

• 2,4-Dihydro-3H-1,2,4-triazol-3-ones as anticonvulsant agents
  作者：John M. Kane、Bruce M. Baron、Mark W. Dudley、Stephen M. Sorensen、Michael A. Staeger、Francis P. Miller

  DOI：10.1021/jm00172a015

  日期：1990.10

  A series of 5-aryl-2,4-dihydro-3H-1,2,4-triazol-3-ones was evaluated for anticonvulsant activity. In general the members of this series were prepared by the alkaline cyclization of 1-aroyl-4-alkylsemicarbazides. The resulting 2-unsubstituted 3H-1,2,4-triazol-3-ones were then alkylated, yielding 2,4-dialkyl-3H-1,2,4-triazol-3-ones. Approximately one-third of the compounds examined exhibited activity against both maximal electroshock- and pentylenetetrazole-induced seizures in mice. Receptor-binding studies suggest that this activity was not a consequence of activity at either benzodiazepine or NMDA-type glutamate receptors. From this series, compound 45 was selected for further evaluation where it was also found to be active against 3-mercaptopropionic acid, bicuculline, and quinolinic acid induced seizures in mice. In addition, 45 also protected gerbils from hippocampal neuronal degeneration produced by either hypoxia or intrastriatal quinolinic acid injection.
• Kane; Staeger; Dalton, Journal of Medicinal Chemistry, 1994, vol. 37, # 1, p. 125 - 132
  作者：Kane、Staeger、Dalton、Miller、Dudley、Ogden、Kehne、Ketteler、McCloskey、Senyah、Chmielewski、Miller

  DOI：——

  日期：——