(2R)-N-(2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(6-(dimethylamino)-9H-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl)-3-(tert-butyldimethylsilyloxy)-2-methylpropanamide | 1152731-63-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (2R)-N-(2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(6-(dimethylamino)-9H-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl)-3-(tert-butyldimethylsilyloxy)-2-methylpropanamide
• CAS: 1152731-63-9
• 化学式: C₄₃H₅₆N₆O₇Si
• 分子量: 797.039
• InChiKey: YVWBGHBUHMNZEA-YFLMGMTPSA-N

物化性质

• 密度：
  1.20±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.32
• 重原子数：
  57.0
• 可旋转键数：
  15.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  142.32
• 氢给体数：
  2.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  丁二酸酐 、 (2R)-N-(2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(6-(dimethylamino)-9H-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl)-3-(tert-butyldimethylsilyloxy)-2-methylpropanamide 在 吡啶 、 4-二甲氨基吡啶 作用下， 以58%的产率得到4-(5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-4-((R)-3-(tert-butyldimethylsilyloxy)-2-methylpropanamido)-2-(6-(dimethylamino)-9H-purin-9-yl)tetrahydrofuran-3-yloxy)-4-oxobutanoic acid
  参考文献：
  名称：

  Synthesis of puromycin derivatives with backbone-elongated substrates and associated translation inhibitory activities

  摘要：

  We have synthesized a series of 5'-phosphorylated and 5'-cytidylyl-(3'-5')-cytidylyl-(3'-5')-puromycin derivatives that have backbone-elongated substrates. All the synthesized puromycin derivatives showed good solubility in water and were applied to translation inhibitory assay in a reconstituted Escherichia coli translation system. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.02.006
• 作为产物：
  描述：

  (2R)-3-(tert-butyldimethylsilyloxy)-N-(5-(6-(dimethylamino)-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl)-2-methylpropanamide 、 4,4'-双甲氧基三苯甲基氯 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 12.0h， 以89%的产率得到(2R)-N-(2-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)-5-(6-(dimethylamino)-9H-purin-9-yl)-4-hydroxytetrahydrofuran-3-yl)-3-(tert-butyldimethylsilyloxy)-2-methylpropanamide
  参考文献：
  名称：

  Synthesis of puromycin derivatives with backbone-elongated substrates and associated translation inhibitory activities

  摘要：

  We have synthesized a series of 5'-phosphorylated and 5'-cytidylyl-(3'-5')-cytidylyl-(3'-5')-puromycin derivatives that have backbone-elongated substrates. All the synthesized puromycin derivatives showed good solubility in water and were applied to translation inhibitory assay in a reconstituted Escherichia coli translation system. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.02.006