2-(5-(3-methylthio-1,2,4-triazin-5-yl)-1,2,4-triazin-3-ylthio)-N,N-diethylethanamine | 1255789-72-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(5-(3-methylthio-1,2,4-triazin-5-yl)-1,2,4-triazin-3-ylthio)-N,N-diethylethanamine
• 英文别名: N,N-diethyl-2-[[5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazin-3-yl]sulfanyl]ethanamine
• CAS: 1255789-72-0
• 化学式: C₁₃H₁₉N₇S₂
• 分子量: 337.473
• InChiKey: KPQPWCFHRPRACG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  131
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-(1,2,4-triazin-3-ylthio)-N,N-diethylethan-1-amine 、 3-甲硫基-1,2,4-三嗪 在 potassium cyanide 作用下， 以 水 为溶剂， 以30%的产率得到2-(5-(3-methylthio-1,2,4-triazin-5-yl)-1,2,4-triazin-3-ylthio)-N,N-diethylethanamine
  参考文献：
  名称：

  3-Alkylthio-1,2,4-triazine dimers with potent antimalarial activity

  摘要：

  We report on the discovery of 3-alkylthio-1,2,4-triazine dimers that are potently toxic to Plasmodium falciparum, with single digit nanomolar activity, and up to several thousand-fold lower toxicity to mammalian cells. They are equipotent against chloroquine-resistant strains of P. falciparum. (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.065

文献信息

• 3-Alkylthio-1,2,4-triazine dimers with potent antimalarial activity
  作者：Kung Ban、Sandra Duffy、Yelena Khakham、Vicky M. Avery、Andrew Hughes、Oliver Montagnat、Kasiram Katneni、Eileen Ryan、Jonathan B. Baell

  DOI：10.1016/j.bmcl.2010.08.065

  日期：2010.10

  We report on the discovery of 3-alkylthio-1,2,4-triazine dimers that are potently toxic to Plasmodium falciparum, with single digit nanomolar activity, and up to several thousand-fold lower toxicity to mammalian cells. They are equipotent against chloroquine-resistant strains of P. falciparum. (c) 2010 Elsevier Ltd. All rights reserved.