1-[4-(9-benzyl-2-phenyl-9H-purin-6-ylamino)phenyl]-3-phenylurea | 1064711-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1-[4-(9-benzyl-2-phenyl-9H-purin-6-ylamino)phenyl]-3-phenylurea
• 英文别名: 1-[4-[(9-Benzyl-2-phenylpurin-6-yl)amino]phenyl]-3-phenylurea
• CAS: 1064711-73-4
• 化学式: C₃₁H₂₅N₇O
• 分子量: 511.586
• InChiKey: PLEWMOUMQSFAII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  96.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N⁶-(4-aminophenyl)-9-benzyl-2-phenyladenine 、 异氰酸苯酯 在 N,N-二乙基苯胺 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以40%的产率得到1-[4-(9-benzyl-2-phenyl-9H-purin-6-ylamino)phenyl]-3-phenylurea
  参考文献：
  名称：

  N6-1,3-Diphenylurea derivatives of 2-phenyl-9-benzyladenines and 8-azaadenines: Synthesis and biological evaluation as allosteric modulators of A2A adenosine receptors

  摘要：

  Some 1-[4-(9-benzyl-2-phenyl-9H-purin-6-ylamino)-phenyl]-3-phenyl-urea derivatives and some 1-[4-(9-benzyl-2-phenyl-9H-8-azapurin-6ylamino)-phenyl]-3-phenyl-urea derivatives were synthesised and evaluated for their interaction with adenosine receptors. It was found that some of these compounds can act as positive enhancers of agonist and antagonist radioligands for the A(2A) adenosine receptors. This evidence was also strengthened by functional data. Other compounds can act as negative modulators. Furthermore these compounds show inhibitory properties for A(1) and A(3) adenosine receptors. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.10.021

文献信息

• N6-1,3-Diphenylurea derivatives of 2-phenyl-9-benzyladenines and 8-azaadenines: Synthesis and biological evaluation as allosteric modulators of A2A adenosine receptors
  作者：Irene Giorgi、Giuliana Biagi、Anna Maria Bianucci、Alice Borghini、Oreste Livi、Michele Leonardi、Daniele Pietra、Vincenzo Calderone、Alma Martelli

  DOI：10.1016/j.ejmech.2007.10.021

  日期：2008.8

  Some 1-[4-(9-benzyl-2-phenyl-9H-purin-6-ylamino)-phenyl]-3-phenyl-urea derivatives and some 1-[4-(9-benzyl-2-phenyl-9H-8-azapurin-6ylamino)-phenyl]-3-phenyl-urea derivatives were synthesised and evaluated for their interaction with adenosine receptors. It was found that some of these compounds can act as positive enhancers of agonist and antagonist radioligands for the A(2A) adenosine receptors. This evidence was also strengthened by functional data. Other compounds can act as negative modulators. Furthermore these compounds show inhibitory properties for A(1) and A(3) adenosine receptors. (c) 2007 Elsevier Masson SAS. All rights reserved.