6-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-2-N-cyclohexyl-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine | 1099811-57-0

• 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: 6-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-2-N-cyclohexyl-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
• CAS: 1099811-57-0
• 化学式: C₃₀H₃₅ClFN₉
• 分子量: 576.12
• InChiKey: YMGVGXIMDPLIFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  94.1
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-((7-chloroquinolin-4-yl)amino)ethyl methanesulfonate 、 N2-cyclohexyl-N4-(4-fluorophenyl)-6-(piperazin-1-yl)-1,3,5-triazine-2,4-diamine 在 N-甲基吡咯烷酮 作用下， 反应 0.01h， 生成 6-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]-2-N-cyclohexyl-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
  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

文献信息

• Synthesis and bioevaluation of hybrid 4-aminoquinoline triazines as a new class of antimalarial agents
  作者：Ashok Kumar、Kumkum Srivastava、S. Raja Kumar、S.K. Puri、Prem M.S. Chauhan

  DOI：10.1016/j.bmcl.2008.10.049

  日期：2008.12

  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.