4-methyl-1-[2-(3-methyl-6-oxo-5,6-dihydropyridazin-1(4H)-yl)acetyl]thiosemicarbazide | 1337864-62-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-methyl-1-[2-(3-methyl-6-oxo-5,6-dihydropyridazin-1(4H)-yl)acetyl]thiosemicarbazide
• 英文别名: 1-Methyl-3-[[2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetyl]amino]thiourea；1-methyl-3-[[2-(3-methyl-6-oxo-4,5-dihydropyridazin-1-yl)acetyl]amino]thiourea
• CAS: 1337864-62-6
• 化学式: C₉H₁₅N₅O₂S
• 分子量: 257.316
• InChiKey: LDWHCJRDUAWYPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-氧代己酸 在 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 11.0h， 生成 4-methyl-1-[2-(3-methyl-6-oxo-5,6-dihydropyridazin-1(4H)-yl)acetyl]thiosemicarbazide
  参考文献：
  名称：

  Synthesis and antimycobacterial activities of some new N-acylhydrazone and thiosemicarbazide derivatives of 6-methyl-4,5-dihydropyridazin-3(2H)-one

  摘要：

  In this study, twenty-five new 6-methyl-4,5-dihydropyridazin-3(2H)-one derivatives having N-acylhydrazone and thiosemicarbazide moieties were synthesized. The target compounds were tested for their antimycobacterial activity in vitro against Mycobacterium tuberculosis H37Rv using the agar dilution method. Among the synthesized compounds, N'-(2,4-dichlorobenzylidene)-2-(3-methyl-6-oxo-5,6-dihydropyridazin-1(4H)-yl)acetohydrazide 4g was found to be the most active compound with minimum inhibitory concentration of 0.78 mu M and was more potent than ethambutol and ciprofloxacin.

  DOI：

  10.1007/s00044-011-9770-6

文献信息

• Synthesis and antimycobacterial activities of some new N-acylhydrazone and thiosemicarbazide derivatives of 6-methyl-4,5-dihydropyridazin-3(2H)-one
  作者：Oya Unsal Tan、Keriman Ozadali、Perumal Yogeeswari、Dharmarajan Sriram、Ayla Balkan

  DOI：10.1007/s00044-011-9770-6

  日期：2012.9

  In this study, twenty-five new 6-methyl-4,5-dihydropyridazin-3(2H)-one derivatives having N-acylhydrazone and thiosemicarbazide moieties were synthesized. The target compounds were tested for their antimycobacterial activity in vitro against Mycobacterium tuberculosis H37Rv using the agar dilution method. Among the synthesized compounds, N'-(2,4-dichlorobenzylidene)-2-(3-methyl-6-oxo-5,6-dihydropyridazin-1(4H)-yl)acetohydrazide 4g was found to be the most active compound with minimum inhibitory concentration of 0.78 mu M and was more potent than ethambutol and ciprofloxacin.