(2S)-4-[4-[(6-methoxy-8-quinolyl)amino]pentyl]-2,8-dimethyl-1,4-diazaspiro[4.5]decan-3-one | 1011477-52-3

• 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: (2S)-4-[4-[(6-methoxy-8-quinolyl)amino]pentyl]-2,8-dimethyl-1,4-diazaspiro[4.5]decan-3-one
• 英文别名: (2S)-4-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]-2,8-dimethyl-1,4-diazaspiro[4.5]decan-3-one
• CAS: 1011477-52-3
• 化学式: C₂₅H₃₆N₄O₂
• 分子量: 424.586
• InChiKey: WSZOTGKUQAMVMU-WOMPVMAKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  66.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-甲基环己酮 、 (2S)-N¹-[4-(6-methoxy-8-quinolylamino)pentyl]-2-aminopropanamide 在 4 A molecular sieve 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 72.0h， 生成 (2S)-4-[4-[(6-methoxy-8-quinolyl)amino]pentyl]-2,8-dimethyl-1,4-diazaspiro[4.5]decan-3-one
  参考文献：
  名称：

  Anti-Pneumocystis carinii and antiplasmodial activities of primaquine-derived imidazolidin-4-ones

  摘要：

  A series of primaquine-derived imidazolidin-4-ones were screened for their in vitro activity against Pneumocystis carinii and Plasmodium falciparum W2 strain. Most compounds were active against P. carinii above 10 mu g/mL and displayed slight to marked activity. The imidazolidin-4-ones most active against P. carinii were also those most active antiplasmodial agents, in the mu M range. One of the tested imidazolidin-4-ones was slightly more active than the parent primaquine and may represent a lead compound for the development of novel anti-P. carinii 8-aminoquinolines with increased stability and resistance to metabolic inactivation. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.105

文献信息

• Anti-Pneumocystis carinii and antiplasmodial activities of primaquine-derived imidazolidin-4-ones
  作者：Nuno Vale、Margaret S. Collins、Jiri Gut、Ricardo Ferraz、Philip J. Rosenthal、Melanie T. Cushion、Rui Moreira、Paula Gomes

  DOI：10.1016/j.bmcl.2007.11.105

  日期：2008.1

  A series of primaquine-derived imidazolidin-4-ones were screened for their in vitro activity against Pneumocystis carinii and Plasmodium falciparum W2 strain. Most compounds were active against P. carinii above 10 mu g/mL and displayed slight to marked activity. The imidazolidin-4-ones most active against P. carinii were also those most active antiplasmodial agents, in the mu M range. One of the tested imidazolidin-4-ones was slightly more active than the parent primaquine and may represent a lead compound for the development of novel anti-P. carinii 8-aminoquinolines with increased stability and resistance to metabolic inactivation. (c) 2007 Elsevier Ltd. All rights reserved.