2-(o-Toluidino)-4-morpholino-6-piperazino-s-triazin | 21665-56-5

• 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: 2-(o-Toluidino)-4-morpholino-6-piperazino-s-triazin
• 英文别名: (4-morpholin-4-yl-6-piperazin-1-yl-[1,3,5]triazin-2-yl)-o-tolyl-amine；N-(2-methylphenyl)-N-[4-(4-morpholinyl)-6-(1-piperazinyl)-1,3,5-triazin-2-yl]amine；N-(2-methylphenyl)-4-morpholin-4-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
• CAS: 21665-56-5
• 化学式: C₁₈H₂₅N₇O
• 分子量: 355.443
• InChiKey: INJKPWHTRWYHHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  78.4
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-((7-chloroquinolin-4-yl)amino)ethyl methanesulfonate 、 2-(o-Toluidino)-4-morpholino-6-piperazino-s-triazin 在 N-甲基吡咯烷酮 作用下， 反应 0.01h， 生成 7-chloro-N-[2-[4-[4-(2-methylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]piperazin-1-yl]ethyl]quinolin-4-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：

  哌嗪 、 4-chloro-6-morpholino-N-(2-methylphenyl)-1,3,5-triazin-2-amine 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 2-(o-Toluidino)-4-morpholino-6-piperazino-s-triazin
  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