2-(1,2,4-triazin-3-ylthio)-N,N-diethylethan-1-amine | 1255789-68-4

• 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-(1,2,4-triazin-3-ylthio)-N,N-diethylethan-1-amine
• 英文别名: N,N-diethyl-2-(1,2,4-triazin-3-ylsulfanyl)ethanamine
• CAS: 1255789-68-4
• 化学式: C₉H₁₆N₄S
• 分子量: 212.319
• InChiKey: PLWNCIHXRGRZTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  67.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(1,2,4-triazin-3-ylthio)-N,N-diethylethan-1-amine 在 potassium cyanide 作用下， 以 水 为溶剂， 以92%的产率得到2-[[5-[3-(2-diethylaminoethylsulfanyl)-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]-N,N-diethyl-ethanamine
  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
• 作为产物：
  描述：

  3-mercapto-1,2,4-triazine 、 2-二乙氨基-1-溴乙烷氢溴酸盐 在 N,N-二异丙基乙胺 作用下， 以 2,4-滴二甲胺盐 为溶剂， 反应 2.0h， 以10%的产率得到2-(1,2,4-triazin-3-ylthio)-N,N-diethylethan-1-amine
  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.