NSC-86353 | 1088-05-7

• 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: NSC-86353
• 英文别名: 7-benzyl-1-hydroxy-3,7-dihydro-purine-2,6-dione；1-Hydroxy-7-benzyl-xanthin；7-Benzyl-1-hydroxy-3,7-dihydro-1h-purine-2,6-dione；7-benzyl-1-hydroxy-3H-purine-2,6-dione
• CAS: 1088-05-7
• 化学式: C₁₂H₁₀N₄O₃
• 分子量: 258.236
• InChiKey: UPCWECPFBVRPRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  87.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-氨基-1-苄基-1H-咪唑-5-甲酸乙酯 在 甲酸 、 palladium diacetate 、 三苯基膦 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 6.0h， 生成 NSC-86353
  参考文献：
  名称：

  Discovery, synthesis and biochemical profiling of purine-2,6-dione derivatives as inhibitors of the human poly(A)-selective ribonuclease Caf1

  摘要：

  Eukaryotic mRNA contains a 3' poly(A) tail, which plays important roles in the regulation of mRNA stability and translation. Well-characterized enzymes involved in the shortening of the poly(A) tail include the multi-subunit Ccr4-Not deadenylase, which contains the Caf1 (Pop2) and Ccr4 catalytic components, and poly(A)-specific ribonuclease (PARN). Two Mg2+ ions present in the active sites of these ribonucleases are required for RNA cleavage. Here, we report the discovery, synthesis and biochemical profiling of purine-2,6-dione derivatives as (sub) micromolar inhibitors of Caf1. (C) 2015 The Authors. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2015.07.095