| 1150591-81-3

• 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
• CAS: 1150591-81-3
• 化学式: C₃₂H₃₈ClN₃O₄
• 分子量: 564.124
• InChiKey: IMPACDQICANCEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  73.9
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  adamantane-2-spiro-3'-8'-oxo-1',2',4'-trioxaspiro[4,5]decane 、 N¹-(6-chloro-2-methoxyacridin-9-yl)ethane-1,2-diamine 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 以44%的产率得到
  参考文献：
  名称：

  Semi-synthetic and synthetic 1,2,4-trioxaquines and 1,2,4-trioxolaquines: synthesis, preliminary SAR and comparison with acridine endoperoxide conjugates

  摘要：

  A novel series of semi-synthetic trioxaquines and synthetic trioxolaquines were prepared, in moderate to good yields. Antimalarial activity was evaluated against both the chloroquine-sensitive 3D7 and resistant K1 strain of Plasmodium falciparum and both series of compounds were shown to be active in the low nanomolar range. For comparison the corresponding 9-amino acridine analogues were also prepared and shown to have low nanomolar activity like their quinoline counterparts. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.013

文献信息

• Evidence for a Common Non-Heme Chelatable-Iron-Dependent Activation Mechanism for Semisynthetic and Synthetic Endoperoxide Antimalarial Drugs
  作者：Paul A. Stocks、Patrick G. Bray、Victoria E. Barton、Mohammed Al-Helal、Michael Jones、Nuna C. Araujo、Peter Gibbons、Stephen A. Ward、Ruth H. Hughes、Giancarlo A. Biagini、Jill Davies、Richard Amewu、Amy E. Mercer、Gemma Ellis、Paul M. O'Neill

  DOI：10.1002/anie.200604697

  日期：2007.8.20
• Semi-synthetic and synthetic 1,2,4-trioxaquines and 1,2,4-trioxolaquines: synthesis, preliminary SAR and comparison with acridine endoperoxide conjugates
  作者：Nuna C.P. Araújo、Victoria Barton、Michael Jones、Paul A. Stocks、Stephen A. Ward、Jill Davies、Patrick G. Bray、Alison E. Shone、Maria L.S. Cristiano、Paul M. O’Neill

  DOI：10.1016/j.bmcl.2009.02.013

  日期：2009.4

  A novel series of semi-synthetic trioxaquines and synthetic trioxolaquines were prepared, in moderate to good yields. Antimalarial activity was evaluated against both the chloroquine-sensitive 3D7 and resistant K1 strain of Plasmodium falciparum and both series of compounds were shown to be active in the low nanomolar range. For comparison the corresponding 9-amino acridine analogues were also prepared and shown to have low nanomolar activity like their quinoline counterparts. (C) 2009 Elsevier Ltd. All rights reserved.