3-(butylamino)-4-({4-[(6-methoxyquinolin-8-yl)amino]pentyl}amino)cyclobut-3-ene-1,2-dione

• 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: 3-(butylamino)-4-({4-[(6-methoxyquinolin-8-yl)amino]pentyl}amino)cyclobut-3-ene-1,2-dione
• 英文别名: 3-(Butylamino)-4-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]cyclobut-3-ene-1,2-dione；3-(butylamino)-4-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]cyclobut-3-ene-1,2-dione
• 化学式: C₂₃H₃₀N₄O₃
• 分子量: 410.516
• InChiKey: IRJDILLTZVIVSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  30
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  磷酸伯氨喹 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 36.5h， 生成 3-(butylamino)-4-({4-[(6-methoxyquinolin-8-yl)amino]pentyl}amino)cyclobut-3-ene-1,2-dione
  参考文献：
  名称：

  Novel squaramides with in vitro liver stage antiplasmodial activity

  摘要：

  A structure-activity relationship study was performed with ten 8-aminoquinoline-squaramides compounds active against liver stage malaria parasites, using human hepatoma cells (Huh7) infected by Plasmodium berghei parasites. In addition, their blood-schizontocidal activity was assessed against chloroquine-resistant W2 strain Plasmodium falciparum. Compound 3 was 7.3-fold more potent than the positive control primaquine against liver-stage parasites, illustrating the importance of the squarate moiety to activity. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2016.03.005

文献信息

• Novel squaramides with in vitro liver stage antiplasmodial activity
  作者：Carlos J.A. Ribeiro、Margarida Espadinha、Marta Machado、Jiri Gut、Lídia M. Gonçalves、Philip J. Rosenthal、Miguel Prudêncio、Rui Moreira、Maria M.M. Santos

  DOI：10.1016/j.bmc.2016.03.005

  日期：2016.4

  A structure-activity relationship study was performed with ten 8-aminoquinoline-squaramides compounds active against liver stage malaria parasites, using human hepatoma cells (Huh7) infected by Plasmodium berghei parasites. In addition, their blood-schizontocidal activity was assessed against chloroquine-resistant W2 strain Plasmodium falciparum. Compound 3 was 7.3-fold more potent than the positive control primaquine against liver-stage parasites, illustrating the importance of the squarate moiety to activity. (C) 2016 Elsevier Ltd. All rights reserved.