4-chloro-2-[(7-chloroquinolin-4-ylamino)heptylamino]-pyrimidine | 1526936-52-6

• 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: 4-chloro-2-[(7-chloroquinolin-4-ylamino)heptylamino]-pyrimidine
• 英文别名: N'-(4-chloropyrimidin-2-yl)-N-(7-chloro-4-quinolyl)heptane-1,7-diamine；N'-(4-chloropyrimidin-2-yl)-N-(7-chloroquinolin-4-yl)heptane-1,7-diamine
• CAS: 1526936-52-6
• 化学式: C₂₀H₂₃Cl₂N₅
• 分子量: 404.342
• InChiKey: FZEVYDQPDWZIFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  62.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4,7-二氯喹啉 、 1,7-二氨基庚烷 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 生成 4-chloro-2-[(7-chloroquinolin-4-ylamino)heptylamino]-pyrimidine
  参考文献：
  名称：

  Quinoline–Pyrimidine Hybrids: Synthesis, Antiplasmodial Activity, SAR, and Mode of Action Studies

  摘要：

  For the treatment of malaria which affects nearly 200 million people each year and the continued exacerbation by the emergence of drug resistance to most of the available antimalarials, the "covalent bitherapy" suggests hybrid molecules to be the next-generation antimalarial drugs. In this investigation, new hybrids of 4-aminoquinoline and pyrimidine moieties that show antiplasmodial activity in the nM range against chloroquine-resistant as well as chloroquine-sensitive strains of Plasmodium falciparum have been prepared. Cytotoxicity evaluation and mode of action of most potent hybrid molecule have been conducted.

  DOI：

  10.1021/jm4014778

文献信息

• Quinoline–Pyrimidine Hybrids: Synthesis, Antiplasmodial Activity, SAR, and Mode of Action Studies
  作者：Kamaljit Singh、Hardeep Kaur、Peter Smith、Carmen de Kock、Kelly Chibale、Jan Balzarini

  DOI：10.1021/jm4014778

  日期：2014.1.23

  For the treatment of malaria which affects nearly 200 million people each year and the continued exacerbation by the emergence of drug resistance to most of the available antimalarials, the "covalent bitherapy" suggests hybrid molecules to be the next-generation antimalarial drugs. In this investigation, new hybrids of 4-aminoquinoline and pyrimidine moieties that show antiplasmodial activity in the nM range against chloroquine-resistant as well as chloroquine-sensitive strains of Plasmodium falciparum have been prepared. Cytotoxicity evaluation and mode of action of most potent hybrid molecule have been conducted.