1-(isoquinolin-5-yl)-3-p-tolylurea | 1356927-90-6

• 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-tolylurea
• CAS: 1356927-90-6
• 化学式: C₁₇H₁₅N₃O
• 分子量: 277.326
• InChiKey: NAYNQDNGLBGFBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.19
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  54.02
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  5-氨基异喹啉 、 对甲苯异氰酸酯 以 四氢呋喃 、 甲苯 为溶剂， 以95%的产率得到1-(isoquinolin-5-yl)-3-p-tolylurea
  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