N1-(4-chloro-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)-N3-(7-chloroquinolin-4-yl)propane-1,3-diamine | 1207449-53-3

• 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: N1-(4-chloro-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)-N3-(7-chloroquinolin-4-yl)propane-1,3-diamine
• CAS: 1207449-53-3
• 化学式: C₂₀H₂₃Cl₂N₇
• 分子量: 432.356
• InChiKey: LBBKZNZTHXPMLC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.63
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  78.86
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N-(3-氨丙基)吗啉 、 N1-(4-chloro-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)-N3-(7-chloroquinolin-4-yl)propane-1,3-diamine 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 生成 N2-(3-(7-chloroquinolin-4-ylamino)propyl)-N4-(3-morpholinopropyl)-6-(piperidin-1-yl)-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Synthesis of oxalamide and triazine derivatives as a novel class of hybrid 4-aminoquinoline with potent antiplasmodial activity

  摘要：

  Frequency of malaria and its resistance to chemotherapeutic options are emerging rapidly. To counter this problem, a series of 4-aminoquinolines having oxalamide and triazine functionalities in the side chain were synthesized and screened for their antimalarial activities. Triazine derivative 48 found to be the most active against CQ sensitive strain 3D7 of Plasmodium falciparum in an in vitro assay with an IC50 of 5.23 ng/mL and oxalamide derivative 13 showed an in vivo suppression of 70.45% on day 4 against CQ resistant strain N-67 of Plasmodium yoelii. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2009.05.075
• 作为产物：
  描述：

  N-(7-chloroquinolin-4-yl)propane-1,3-diamine 、 2,4-dichloro-6-piperidin-1-yl-[1,3,5]triazine 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 N1-(4-chloro-6-(piperidin-1-yl)-1,3,5-triazin-2-yl)-N3-(7-chloroquinolin-4-yl)propane-1,3-diamine
  参考文献：
  名称：

  Synthesis of oxalamide and triazine derivatives as a novel class of hybrid 4-aminoquinoline with potent antiplasmodial activity

  摘要：

  Frequency of malaria and its resistance to chemotherapeutic options are emerging rapidly. To counter this problem, a series of 4-aminoquinolines having oxalamide and triazine functionalities in the side chain were synthesized and screened for their antimalarial activities. Triazine derivative 48 found to be the most active against CQ sensitive strain 3D7 of Plasmodium falciparum in an in vitro assay with an IC50 of 5.23 ng/mL and oxalamide derivative 13 showed an in vivo suppression of 70.45% on day 4 against CQ resistant strain N-67 of Plasmodium yoelii. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2009.05.075