1-ethyl-7-(4-(4,6-diamino-1,3,5-triazin-2-yl)piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | 1158040-67-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-ethyl-7-(4-(4,6-diamino-1,3,5-triazin-2-yl)piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
• 英文别名: 7-[4-(4,6-Diamino-1,3,5-triazin-2-yl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• CAS: 1158040-67-5
• 化学式: C₁₉H₂₁FN₈O₃
• 分子量: 428.426
• InChiKey: YHGAZOKTGTXGQB-UHFFFAOYSA-N

物化性质

• 沸点：
  787.3±70.0 °C(predicted)
• 密度：
  1.525±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  155
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2-氯-4,6-二氨基-1,3,5-三嗪 、 诺氟沙星 在 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 反应 0.18h， 以45%的产率得到1-ethyl-7-(4-(4,6-diamino-1,3,5-triazin-2-yl)piperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
  参考文献：
  名称：

  Targeted delivery of compounds to Trypanosoma brucei using the melamine motif

  摘要：

  There is an urgent need for the development of new drugs for the treatment of human African trypanosomiasis. The causative organism, Trypanosoma brucei, has been shown to have some unusual plasma membrane transporters, in particular the P2 aminopurine transporter and related permeases, which have been used for the selective targeting of trypanocidal compounds to the organism. In this paper, we report the addition of melamine-based P2-targeting motifs to three different classes of compound in order to try and improve activity through increased selective uptake. The classes reported here are fluoroquinolones, difluoromethylornithine and artesunate derivatives. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.01.058

文献信息

• Targeted delivery of compounds to Trypanosoma brucei using the melamine motif
  作者：Constance Chollet、Alessandro Baliani、Pui Ee Wong、Michael P. Barrett、Ian H. Gilbert

  DOI：10.1016/j.bmc.2009.01.058

  日期：2009.3

  There is an urgent need for the development of new drugs for the treatment of human African trypanosomiasis. The causative organism, Trypanosoma brucei, has been shown to have some unusual plasma membrane transporters, in particular the P2 aminopurine transporter and related permeases, which have been used for the selective targeting of trypanocidal compounds to the organism. In this paper, we report the addition of melamine-based P2-targeting motifs to three different classes of compound in order to try and improve activity through increased selective uptake. The classes reported here are fluoroquinolones, difluoromethylornithine and artesunate derivatives. (C) 2009 Elsevier Ltd. All rights reserved.