4-(5-methyl-1,2,4-oxadiazol-3-yl)benzohydrazide | 1312761-53-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzohydrazide
• CAS: 1312761-53-7
• 化学式: C₁₀H₁₀N₄O₂
• 分子量: 218.215
• InChiKey: OJJYBYXJYWKSPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  94
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  吲哚-3-乙醛酰氯 、 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzohydrazide 在 三乙胺 作用下， 以 甲基叔丁基醚 为溶剂， 反应 26.25h， 以50%的产率得到2-(1H-indol-3-yl)-N'-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]-2-oxoacetohydrazide
  参考文献：
  名称：

  Dual IGF-1R/SRC inhibitors based on a N′-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide structure

  摘要：

  The N'-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide motif was identified as a novel scaffold for the development of kinase inhibitors. Derivatives with a biphenyl element attached to the hydrazide structure proved to be submicromolar dual inhibitors of the cancer-related kinases IGF-1R and SRC. One of the most potent kinase inhibitors of the series produced a selective growth inhibition in a panel of cultivated cancer cell lines. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.03.065
• 作为产物：
  描述：

  4-(5-甲基-1,2,4-噁二唑-3-基)苯甲酸乙酯 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 30.0h， 生成 4-(5-methyl-1,2,4-oxadiazol-3-yl)benzohydrazide
  参考文献：
  名称：

  Dual IGF-1R/SRC inhibitors based on a N′-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide structure

  摘要：

  The N'-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide motif was identified as a novel scaffold for the development of kinase inhibitors. Derivatives with a biphenyl element attached to the hydrazide structure proved to be submicromolar dual inhibitors of the cancer-related kinases IGF-1R and SRC. One of the most potent kinase inhibitors of the series produced a selective growth inhibition in a panel of cultivated cancer cell lines. (C) 2011 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2011.03.065