1-(3,4-Dichlorophenyl)-3-(quinolin-8-YL)urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(3,4-Dichlorophenyl)-3-(quinolin-8-YL)urea
• 英文别名: 1-(3,4-dichlorophenyl)-3-quinolin-8-ylurea
• 化学式: C₁₆H₁₁Cl₂N₃O
• mdl: MFCD00265132
• 分子量: 332.189
• InChiKey: BMUQHDNNGLRCRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 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：
  54
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  8-氨基喹啉 、 3,4-二氯苯异氰酸酯 以 苯 为溶剂， 生成 1-(3,4-Dichlorophenyl)-3-(quinolin-8-YL)urea
  参考文献：
  名称：

  Pagani; Carmellino; Caccialanza, Farmaco, Edizione Scientifica, 1983, vol. 38, # 2, p. 128 - 134

  摘要：

  DOI：

文献信息

• Antischistosomal activity of N,N′-arylurea analogs against Schistosoma japonicum
  作者：Houzong Yao、Fengyou Liu、Jinglei Chen、Yan Li、Jinhao Cui、Chunhua Qiao

  DOI：10.1016/j.bmcl.2016.01.075

  日期：2016.3

  Although the antischistosomal activities of N,N'-arylurea analogs were reported, systematic structure-activity relationships have not been conducted. In this Letter, we reported the design, synthesis and evaluation of 45 N,N'-arylurea analogs. Among these prepared compounds, 13 compounds were urea linker modified and 32 were N,N'-arylurea derivatives. The activity evaluation revealed 12 analogs exhibited IC50 values lower than 22.6 mu M, and 7 of them had IC50 less than 10 mu M against the juvenile Schistosoma japonicum in vitro. Their worm killing potency was even higher against adult worm. Unfortunately, low to moderate worm burden reduction of 0-33.4% was recorded after administration of a single oral dose of 200 mg/kg or 400 mg/kg to mice harboring S. japonicum. (C) 2016 Published by Elsevier Ltd.