4-chloro-6-(4-ethylpiperazin-1-yl)-N-(p-tolyl)-1,3,5-triazin-2-amine | 1099811-29-6

• 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: 4-chloro-6-(4-ethylpiperazin-1-yl)-N-(p-tolyl)-1,3,5-triazin-2-amine
• CAS: 1099811-29-6
• 化学式: C₁₆H₂₁ClN₆
• 分子量: 332.836
• InChiKey: XJFUHAWRQWTIQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  57.18
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  哌嗪 、 4-chloro-6-(4-ethylpiperazin-1-yl)-N-(p-tolyl)-1,3,5-triazin-2-amine 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 4-(4-ethylpiperazin-1-yl)-6-(piperazin-1-yl)-N-(p-tolyl)-1,3,5-triazin-2-amine
  参考文献：
  名称：

  Synthesis and bioevaluation of hybrid 4-aminoquinoline triazines as a new class of antimalarial agents

  摘要：

  The emergence and rapid spread of chloroquine resistant strains of Plasmodium falciparum has dramatically reduced the chemotherapeutic options. Towards this goal, a series of new class of hybrid 4-aminoquinoline triazines were synthesized and screened against CQ sensitive strain 3D7 of P. falciparum in an in vitro model. Compounds 65 and 69 exhibited more than 99% suppression on day 4 and on day 6 post treatment, compound 69 showed impressive 99.11% suppression against CQ resistant strain N-67 of P. yoelii in an in vivo assay. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.049
• 作为产物：
  描述：

  N-乙基哌嗪 、 (4,6-dichloro-[1,3,5]triazin-2-yl)-p-tolyl-amine 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 4-chloro-6-(4-ethylpiperazin-1-yl)-N-(p-tolyl)-1,3,5-triazin-2-amine
  参考文献：
  名称：

  Synthesis and bioevaluation of hybrid 4-aminoquinoline triazines as a new class of antimalarial agents

  摘要：

  The emergence and rapid spread of chloroquine resistant strains of Plasmodium falciparum has dramatically reduced the chemotherapeutic options. Towards this goal, a series of new class of hybrid 4-aminoquinoline triazines were synthesized and screened against CQ sensitive strain 3D7 of P. falciparum in an in vitro model. Compounds 65 and 69 exhibited more than 99% suppression on day 4 and on day 6 post treatment, compound 69 showed impressive 99.11% suppression against CQ resistant strain N-67 of P. yoelii in an in vivo assay. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.10.049