5-(1,5-Dimethyl-1H-[1,2,4]triazol-3-ylmethyl)-4-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(1,5-Dimethyl-1H-[1,2,4]triazol-3-ylmethyl)-4-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione
• 英文别名: 3-[(1,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione
• 化学式: C₁₃H₁₄N₆S
• 分子量: 286.36
• InChiKey: JGSPOODOPYSXPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  90.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  碘乙烷 、 5-(1,5-Dimethyl-1H-[1,2,4]triazol-3-ylmethyl)-4-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.25h， 以75%的产率得到
  参考文献：
  名称：

  Synthesis, antitumor and antiviral properties of some 1,2,4-triazole derivatives

  摘要：

  A series of 1,5-dialkyl-1,2,4-triazole derivatives of acetic acid alkylidene hydrazides 8-12, the acid 13, 1,5-dialkyl-3-(5-mercapto-4-N-aryl-1H-[1,2,4]-triazol-3-ylmethylene)-1H-[1,2,4] triazoles 14-16, their 1,3,4-oxadiazole analogues 17-21, as well as the 1,2,4-triazolo-indoles 25 and 27 were prepared. The Z/E conformations of some acetic acid alkylidene derivatives were studied by NMR spectroscopy. Most of the target compounds were evaluated in a series of human cancer cell in cultures and none have shown activity except 25 which exhibited remarkable activity against nine cancer types. No in vitro antiviral activity against HIV-1, HIV-2, HSV-1, HSV-2, SV, CV-B4, RSV, P3V, RV, SinV, PTV has been found for all the synthesized compounds.

  DOI：

  10.1016/j.farmac.2004.05.006
• 作为产物：
  描述：

  硫代异氰酸苯酯 、 (1,5-Dimethyl-1H-[1,2,4]triazol-3-yl)-acetic acid hydrazide 在 sodium hydroxide 作用下， 反应 7.0h， 以67%的产率得到5-(1,5-Dimethyl-1H-[1,2,4]triazol-3-ylmethyl)-4-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione
  参考文献：
  名称：

  Synthesis, antitumor and antiviral properties of some 1,2,4-triazole derivatives

  摘要：

  A series of 1,5-dialkyl-1,2,4-triazole derivatives of acetic acid alkylidene hydrazides 8-12, the acid 13, 1,5-dialkyl-3-(5-mercapto-4-N-aryl-1H-[1,2,4]-triazol-3-ylmethylene)-1H-[1,2,4] triazoles 14-16, their 1,3,4-oxadiazole analogues 17-21, as well as the 1,2,4-triazolo-indoles 25 and 27 were prepared. The Z/E conformations of some acetic acid alkylidene derivatives were studied by NMR spectroscopy. Most of the target compounds were evaluated in a series of human cancer cell in cultures and none have shown activity except 25 which exhibited remarkable activity against nine cancer types. No in vitro antiviral activity against HIV-1, HIV-2, HSV-1, HSV-2, SV, CV-B4, RSV, P3V, RV, SinV, PTV has been found for all the synthesized compounds.

  DOI：

  10.1016/j.farmac.2004.05.006