4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine | 1075732-25-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
• CAS: 1075732-25-0
• 化学式: C₂₀H₂₂F₂N₆
• 分子量: 384.432
• InChiKey: NJKACHMBWJJYDA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  88.8
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N2-(5-aminopentyl)-6-chloro-N4-(3-fluorophenyl)-1,3,5-triazine-2,4-diamine 、 3-氟苯基硼酸 在 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 16.0h， 生成 4-N-(5-aminopentyl)-2-N,6-bis(3-fluorophenyl)-1,3,5-triazine-2,4-diamine
  参考文献：
  名称：

  Synthesis and antimicrobial activity of 2-fluorophenyl-4,6-disubstituted [1,3,5]triazines

  摘要：

  A series of 2-fluorophenyl-4,6-disubstituted [1,3,5]triazines (1) and (2) were synthesized and evaluated for their antimicrobial activity against three representative gram-positive bacteria and two fungi. The structure-activity relationship (SAR) demonstrates that the 3- or 4-fluorophenyl component attached directly to the triazine ring was essential for activity. Of these compounds, 14, 15, and 25 demonstrated significant activity against all selected organisms compared to control. These compounds were generally nontoxic and may prove useful as antimicrobial agents. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.12.063

文献信息

• Triazine Derivatives, Compositions Containing Such Derivatives, and Methods of Treatment of Cancer and Autoimmune Diseases Using Such Derivatives
  申请人：Zacharie Boulos

  公开号：US20100129350A1

  公开（公告）日：2010-05-27

  We describe compounds of the following general formula (I): wherein X is fluorine or chlorine; Y is oxygen, sulfur, or an amino group; R is an amino, hydroxyl, sulfonamide, or carboxamide group or an N-monomethyl or N-dimethyl analog thereof; m is an integer from 2 to 6, and n is an integer from 0 to 2. The compounds may be used for treating certain cancers and autoimmune diseases.
• US8258295B2
  申请人：——

  公开号：US8258295B2

  公开（公告）日：2012-09-04
• Synthesis and antimicrobial activity of 2-fluorophenyl-4,6-disubstituted [1,3,5]triazines
  作者：Mona Saleh、Shaun Abbott、Valérie Perron、Caroline Lauzon、Christopher Penney、Boulos Zacharie

  DOI：10.1016/j.bmcl.2009.12.063

  日期：2010.2

  A series of 2-fluorophenyl-4,6-disubstituted [1,3,5]triazines (1) and (2) were synthesized and evaluated for their antimicrobial activity against three representative gram-positive bacteria and two fungi. The structure-activity relationship (SAR) demonstrates that the 3- or 4-fluorophenyl component attached directly to the triazine ring was essential for activity. Of these compounds, 14, 15, and 25 demonstrated significant activity against all selected organisms compared to control. These compounds were generally nontoxic and may prove useful as antimicrobial agents. (c) 2009 Elsevier Ltd. All rights reserved.