4-N-[3-(difluoromethoxy)phenyl]-6-N-phenyl-2-piperidin-1-ylpyrimidine-4,6-diamine | 1350641-05-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4-N-[3-(difluoromethoxy)phenyl]-6-N-phenyl-2-piperidin-1-ylpyrimidine-4,6-diamine
• CAS: 1350641-05-2
• 化学式: C₂₂H₂₃F₂N₅O
• 分子量: 411.454
• InChiKey: TZQBYJYRDQCKAQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  62.3
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2,6-二氯-4-嘧啶)-苯胺 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium tert-butylate 、 N,N-二异丙基乙胺 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 、 正丁醇 为溶剂， 生成 4-N-[3-(difluoromethoxy)phenyl]-6-N-phenyl-2-piperidin-1-ylpyrimidine-4,6-diamine
  参考文献：
  名称：

  Synthesis and biological evaluation of novel pyrimidine derivatives as sub-micromolar affinity ligands of GalR2

  摘要：

  GalR1 and GalR2 represent unique pharmacological targets for treatment of seizures and epilepsy. A novel series of 2,4,6-triaminopyrimidine derivatives were synthesized and found to have sub-micromolar affinity for GalR2. Optimization of a series of 2,4,6-triaminopyrimidines led to the discovery of several analogs with IC50 values ranging from 0.3 to 1 mu M. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.09.033

文献信息

• Synthesis and biological evaluation of novel pyrimidine derivatives as sub-micromolar affinity ligands of GalR2
  作者：Vasudeva Naidu Sagi、Tianyu Liu、Xiaoying Lu、Tamas Bartfai、Edward Roberts

  DOI：10.1016/j.bmcl.2011.09.033

  日期：2011.12

  GalR1 and GalR2 represent unique pharmacological targets for treatment of seizures and epilepsy. A novel series of 2,4,6-triaminopyrimidine derivatives were synthesized and found to have sub-micromolar affinity for GalR2. Optimization of a series of 2,4,6-triaminopyrimidines led to the discovery of several analogs with IC50 values ranging from 0.3 to 1 mu M. (C) 2011 Elsevier Ltd. All rights reserved.