ethyl 2-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-2-oxoacetate | 1190366-37-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: ethyl 2-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-2-oxoacetate
• CAS: 1190366-37-0
• 化学式: C₁₇H₁₈ClN₃O₃
• 分子量: 347.801
• InChiKey: LGBGBJBCAVVHIQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  62.74
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-(3-氨丙基)吗啉 、 ethyl 2-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-2-oxoacetate 以 正丁醇 为溶剂， 反应 8.0h， 以73%的产率得到2-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-N-(3-morpholinopropyl)-2-oxoacetamide
  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：

  草酰氯单乙酯 、 7-氯-4-(1-哌嗪基)喹啉 以 二氯甲烷 为溶剂， 反应 1.0h， 以73%的产率得到ethyl 2-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-2-oxoacetate
  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