1-(isoquinolin-5-yl)-3-p-tolylthiourea | 437729-52-7

• 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-(isoquinolin-5-yl)-3-p-tolylthiourea
• 英文别名: 1-Isoquinolin-5-yl-3-(4-methylphenyl)thiourea
• CAS: 437729-52-7
• 化学式: C₁₇H₁₅N₃S
• 分子量: 293.392
• InChiKey: QITOKDYRODSJJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  69
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(isoquinolin-5-yl)-3-p-tolylthiourea 、 2-溴苯乙酮 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以97 %的产率得到(E)-N-(4-phenyl-3-p-tolylthiazol-2(3H)-ylidene)isoquinoline-5-amine
  参考文献：
  名称：

  Synthesis, characterization, carbonic anhydrase inhibitor activity, and docking studies of phenylthiazol-2(3h)-ylidene-isoquinoline-5-amine Derivatives

  摘要：

  DOI：

  10.1016/j.molstruc.2023.136061
• 作为产物：
  描述：

  5-氨基异喹啉 、 对甲苯异硫氰酸酯 以 四氢呋喃 、 甲苯 为溶剂， 以90%的产率得到1-(isoquinolin-5-yl)-3-p-tolylthiourea
  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.
• Synthesis, characterization, carbonic anhydrase inhibitor activity, and docking studies of phenylthiazol-2(3h)-ylidene-isoquinoline-5-amine Derivatives
  作者：Nurcan Berber、Arif Sercan Şahutoğlu、Başak Gökçe、Kübra Çıkrıkçı、Nahit Gençer

  DOI：10.1016/j.molstruc.2023.136061

  日期：2023.11