2-[4-(2-cyclohexyl-5,6-dimethoxy-8-quinolinamino)pentyl]-1,3-isoindolinedione | 685092-78-8

• 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: 2-[4-(2-cyclohexyl-5,6-dimethoxy-8-quinolinamino)pentyl]-1,3-isoindolinedione
• 英文别名: 2-[4-(2-cyclohexyl-5,6-dimethoxy-8-quinylamino)pentyl]-1,3-isoindolinedione
• CAS: 685092-78-8
• 化学式: C₃₀H₃₅N₃O₄
• 分子量: 501.626
• InChiKey: YYERDZHYHCCIQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.18
• 重原子数：
  37.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  80.76
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2-[4-(2-cyclohexyl-5,6-dimethoxy-8-quinolinamino)pentyl]-1,3-isoindolinedione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以67%的产率得到N⁸-(4-amino-1-methylbutyl)-2-cyclohexyl-5,6-dimethoxy-8-quinolinamine
  参考文献：
  名称：

  Synthesis and blood-schizontocidal antimalarial activities of 2-substituted/2,5-disubstituted-8-quinolinamines and some of their amino acid conjugates

  摘要：

  Thirteen new analogues (32-40, 45-48) of recently discovered potent blood-schizontocidal antimalarial agent, 2-tertbutylprimaquine (2) are synthesized and evaluated for in vivo antimalarial activities against drug-sensitive P. berghei strain and multi-drug resistant P. yoelii nigeriensis strain. Two of the amino acid conjugates (47-48) have exhibited potent antimalarial activities similar to that of 2 against both drug-sensitive and multi-drug resistant strains. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.029
• 作为产物：
  描述：

  环己甲酸 在 镍 ammonium peroxydisulfate 、 硫酸 、 氢气 、 silver nitrate 、 三乙胺 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 70.0~120.0 ℃ 、310.26 kPa 条件下， 反应 24.92h， 生成 2-[4-(2-cyclohexyl-5,6-dimethoxy-8-quinolinamino)pentyl]-1,3-isoindolinedione
  参考文献：
  名称：

  Synthesis and blood-schizontocidal antimalarial activities of 2-substituted/2,5-disubstituted-8-quinolinamines and some of their amino acid conjugates

  摘要：

  Thirteen new analogues (32-40, 45-48) of recently discovered potent blood-schizontocidal antimalarial agent, 2-tertbutylprimaquine (2) are synthesized and evaluated for in vivo antimalarial activities against drug-sensitive P. berghei strain and multi-drug resistant P. yoelii nigeriensis strain. Two of the amino acid conjugates (47-48) have exhibited potent antimalarial activities similar to that of 2 against both drug-sensitive and multi-drug resistant strains. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.12.029