3,7-二甲基吡唑并[4,3-e][1,3,4]恶二嗪 | 436085-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3,7-二甲基吡唑并[4,3-e][1,3,4]恶二嗪
• 中文别名: (11E)-十八碳-11-烯醛
• 英文名称: 3,7-dimethylpyrazolo[3,4-e][4,1,2]oxadiazine
• 英文别名: 3,7-dimethylpyrazolo[4,3-e][1,3,4]oxadiazine
• CAS: 436085-95-9
• 化学式: C₆H₆N₄O
• 分子量: 150.14
• InChiKey: PJOXGQJWXTXOID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  64.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-cyclohexyl-4-methyl-3-thiosemicarbazide 、 3,7-二甲基吡唑并[4,3-e][1,3,4]恶二嗪 以 乙醇 、 水 为溶剂， 反应 3.0h， 以65%的产率得到1-Cyclohexyl-3-(3,7-dimethylpyrazolo[3,4-e][1,2,4]triazin-4-yl)-1-methylthiourea
  参考文献：
  名称：

  Synthesis and antiamoebic activity of 3,7-dimethyl-pyrazolo[3,4-e][1,2,4] triazin-4-yl thiosemicarbazide derivatives

  摘要：

  A series of 3,7-dimethyl-pyrazolo[3,4-e] [ 1,2,4]triazin-4-yl thiosemicarbazide derivatives 3-22 were prepared and evaluated in vitro against HMI:IMSS strain of Entamoeba histolytica, to identify the compounds for antiamoebic activity. They exhibited antiamoebic activity in the range (IC50 = 0.81-7.31 mu M). The results were compared to the activity of known drug metronidazole. It is inferred from the in vitro studies that the compounds 10, 11. 17 and 18 were found to be significantly better inhibitors of E. histolytica since IC50 values in the mu M range elicited by these compounds are much lower than metronidazole. Besides, compounds 11 and 17 have shown the most promising antiamoebic activity (IC50 = 0.81 mu M of 11, IC50 = 0.84 mu M of 17 versus IC50 = 1.81 mu M of metronidazole). The study suggests the possibility of developing triazine analogues as potential drug candidates for antiamoebic activity. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ejps.2005.02.014
• 作为产物：
  描述：

  4,4-二溴-3-甲基-2-吡唑啉-5-酮 、 乙酸酐 在 一水合肼 作用下， 反应 6.0h， 以60%的产率得到3,7-二甲基吡唑并[4,3-e][1,3,4]恶二嗪
  参考文献：
  名称：

  Synthesis and antiamoebic activity of 3,7-dimethyl-pyrazolo[3,4-e][1,2,4] triazin-4-yl thiosemicarbazide derivatives

  摘要：

  A series of 3,7-dimethyl-pyrazolo[3,4-e] [ 1,2,4]triazin-4-yl thiosemicarbazide derivatives 3-22 were prepared and evaluated in vitro against HMI:IMSS strain of Entamoeba histolytica, to identify the compounds for antiamoebic activity. They exhibited antiamoebic activity in the range (IC50 = 0.81-7.31 mu M). The results were compared to the activity of known drug metronidazole. It is inferred from the in vitro studies that the compounds 10, 11. 17 and 18 were found to be significantly better inhibitors of E. histolytica since IC50 values in the mu M range elicited by these compounds are much lower than metronidazole. Besides, compounds 11 and 17 have shown the most promising antiamoebic activity (IC50 = 0.81 mu M of 11, IC50 = 0.84 mu M of 17 versus IC50 = 1.81 mu M of metronidazole). The study suggests the possibility of developing triazine analogues as potential drug candidates for antiamoebic activity. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ejps.2005.02.014

文献信息

• Tewari, Ashish Kumar; Mishra, Lily; Verma, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2002, vol. 41, # 3, p. 664 - 667
  作者：Tewari, Ashish Kumar、Mishra, Lily、Verma、Mishra, Anil

  DOI：——

  日期：——