3-(4-((5-aminopentyl)amino)-6-((3-fluorophenyl)amino)-1,3,5-triazin-2-yl)phenol | 1216935-63-5

• 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: 3-(4-((5-aminopentyl)amino)-6-((3-fluorophenyl)amino)-1,3,5-triazin-2-yl)phenol
• 英文别名: 3-[4-(5-Aminopentylamino)-6-(3-fluoroanilino)-1,3,5-triazin-2-yl]phenol
• CAS: 1216935-63-5
• 化学式: C₂₀H₂₃FN₆O
• 分子量: 382.441
• InChiKey: BKLDIEBDLYULCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 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：
  109
• 氢给体数：
  4
• 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-羟基苯硼酸 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 3-(4-((5-aminopentyl)amino)-6-((3-fluorophenyl)amino)-1,3,5-triazin-2-yl)phenol
  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

• [EN] THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE<br/>[FR] COMPOSÉS THÉRAPEUTIQUEMENT ACTIFS ET LEURS PROCÉDÉS D'UTILISATION
  申请人：AGIOS PHARMACEUTICALS INC

  公开号：WO2013102431A1

  公开（公告）日：2013-07-11

  Provided are compounds useful for treating cancer and methods of treating cancer comprising administering to a subject in need thereof a compound described herein.

  提供了用于治疗癌症的化合物以及治疗癌症的方法，包括向需要的受试者施用本文所述的化合物。
• THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE
  申请人：Agios Pharmaceuticals, Inc.

  公开号：US20170044139A1

  公开（公告）日：2017-02-16

  Provided are compounds useful for treating cancer and methods of treating cancer comprising administering to a subject in need thereof a compound described herein.

  提供了用于治疗癌症的化合物，并且包括将所述化合物用于治疗需要的受试者的治疗方法。
• THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE
  申请人：Agios Pharmaceuticals, Inc.

  公开号：US20160318903A1

  公开（公告）日：2016-11-03

  Provided are compounds useful for treating cancer and methods of treating cancer comprising administering to a subject in need thereof a compound described herein.

  提供了用于治疗癌症的化合物和治疗癌症的方法，包括向需要治疗的受试者给予此处所描述的化合物。
• Therapeutically active compounds and their methods of use
  申请人：Agios Pharmaceuticals, Inc.

  公开号：US10294215B2

  公开（公告）日：2019-05-21

  Provided are compounds useful for treating cancer and methods of treating cancer comprising administering to a subject in need thereof a compound described herein.

  本发明提供了用于治疗癌症的化合物以及治疗癌症的方法，其中包括向有需要的受试者施用本文所述的化合物。
• US9512107B2
  申请人：——

  公开号：US9512107B2

  公开（公告）日：2016-12-06