1-(2,5-dimethyl-1H-pyrrol-1-yl)thiourea | 70436-68-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(2,5-dimethyl-1H-pyrrol-1-yl)thiourea
• 英文别名: (2,5-dimethyl-pyrrol-1-yl)-thiourea；1-Thioureido-2,5-dimethyl-pyrrol；(2,5-dimethylpyrrol-1-yl)thiourea
• CAS: 70436-68-9
• 化学式: C₇H₁₁N₃S
• 分子量: 169.25
• InChiKey: XNQJQAUTZJGWDW-UHFFFAOYSA-N

物化性质

• 熔点：
  217-218 °C
• 沸点：
  305.9±45.0 °C(predicted)
• 密度：
  1.24±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  75.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氨基硫脲 、 2,5-己二酮 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以46.8%的产率得到1-(2,5-dimethyl-1H-pyrrol-1-yl)thiourea
  参考文献：
  名称：

  A class of potent tyrosinase inhibitors: Alkylidenethiosemicarbazide compounds

  摘要：

  A series of alkylidenethiosemicarbazide compounds were synthesized and their inhibitory effects on the diphenolase activity of mushroom tyrosinase were evaluated. The results showed that most of the synthesized compounds exhibited significant inhibitory activities. Especially, compound 1f was found to be the most potent inhibitor with IC50 value of 0.086 mu M, suggesting that further development of such compounds may be of interest. (c) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.04.002

文献信息

• A class of potent tyrosinase inhibitors: Alkylidenethiosemicarbazide compounds
  作者：Jinbing Liu、Rihui Cao、Wei Yi、Chunming Ma、Yiqian Wan、Binhua Zhou、Lin Ma、Huacan Song

  DOI：10.1016/j.ejmech.2008.04.002

  日期：2009.4

  A series of alkylidenethiosemicarbazide compounds were synthesized and their inhibitory effects on the diphenolase activity of mushroom tyrosinase were evaluated. The results showed that most of the synthesized compounds exhibited significant inhibitory activities. Especially, compound 1f was found to be the most potent inhibitor with IC50 value of 0.086 mu M, suggesting that further development of such compounds may be of interest. (c) 2008 Elsevier Masson SAS. All rights reserved.