1-(2-fluorophenyl)-3-(isoquinolin-5-yl)thiourea | 454194-73-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 1-(2-fluorophenyl)-3-(isoquinolin-5-yl)thiourea
• 英文别名: 1-(2-Fluorophenyl)-3-isoquinolin-5-ylthiourea
• CAS: 454194-73-1
• 化学式: C₁₆H₁₂FN₃S
• 分子量: 297.356
• InChiKey: FIAYSJZBDFGGLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-氨基异喹啉 、 异硫氰酸(2-氟苯)酯 以 四氢呋喃 、 甲苯 为溶剂， 以92%的产率得到1-(2-fluorophenyl)-3-(isoquinolin-5-yl)thiourea
  参考文献：
  名称：

  In vitro inhibition of polyphenol oxidase by some new diarylureas

  摘要：

  A new series of N,N'-diarylureas (1-9) was synthesized. These compounds were investigated as inhibitors of polyphenol oxidase (PPO) which had been purified from banana by an affinity gel comprised of Sepharose 4B-L-tyrosine-p-amino benzoic acid. K-i values for (1), (2), (3), (5), (6), (7) and (8) were determined as 0.285, 17.97, 0.187, 0.108, 0.063, 0.044 and 0.047 mM, respectively. Thus (2) was by far the most effective inhibitor. Interestingly, (4) and (9) behaved as an activator of PPO in this study.

  DOI：

  10.3109/14756366.2011.580743

文献信息

• <i>In vitro</i> inhibition of polyphenol oxidase by some new diarylureas
  作者：Dudu Demir、Nahit Gençer、Oktay Arslan、Hayriye Genç、Mustafa Zengin

  DOI：10.3109/14756366.2011.580743

  日期：2012.2.1

  A new series of N,N'-diarylureas (1-9) was synthesized. These compounds were investigated as inhibitors of polyphenol oxidase (PPO) which had been purified from banana by an affinity gel comprised of Sepharose 4B-L-tyrosine-p-amino benzoic acid. K-i values for (1), (2), (3), (5), (6), (7) and (8) were determined as 0.285, 17.97, 0.187, 0.108, 0.063, 0.044 and 0.047 mM, respectively. Thus (2) was by far the most effective inhibitor. Interestingly, (4) and (9) behaved as an activator of PPO in this study.