N⁶-(1-naphthyl)adenosine-5'-O-diphosphate | 864466-79-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: N⁶-(1-naphthyl)adenosine-5'-O-diphosphate
• 英文别名: N6-(1-naphthyl)-adenosine-5'-O-diphosphate；[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(naphthalen-1-ylamino)purin-9-yl]oxolan-2-yl]methyl phosphono hydrogen phosphate
• CAS: 864466-79-5
• 化学式: C₂₀H₂₁N₅O₁₀P₂
• 分子量: 553.362
• InChiKey: JFUIJOBAAYILIU-WVSUBDOOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  219
• 氢给体数：
  6
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  N⁶-(1-naphthyl)adenosine-5'-O-diphosphate 在 Dowex 50WX₈-200 resin, Na+ form 作用下， 以 水 为溶剂， 以13%的产率得到N6-(1-naphthyl)-adenosine-5'-O-diphosphate sodium salt
  参考文献：
  名称：

  Inhibitors of RecA activities for control of antibiotic-resistant bacterial pathogens

  摘要：

  提供了用于调节RecA蛋白活性的化合物。在某些实施例中，这些化合物通过干扰单体RecA蛋白亚基的组装成为核蛋白丝来调节RecA活性。在某些实施例中，这些化合物通过干扰RecA蛋白的三磷酸腺苷水解来调节RecA活性。还提供了筛选这些化合物的方法和使用这些化合物的方法。

  公开号：

  US20060199768A1
• 作为产物：
  描述：

  6-氯嘌呤核苷 在 磷酸三甲酯 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 25.0h， 生成 N⁶-(1-naphthyl)adenosine-5'-O-diphosphate
  参考文献：
  名称：

  A Molecular Target for Suppression of the Evolution of Antibiotic Resistance:  Inhibition of the Escherichia coli RecA Protein by N⁶-(1-Naphthyl)-ADP

  摘要：

  We report that N-6-(1-naphthyl)-ADP (1) inhibits the Escherichia coli RecA protein in vitro. A novel rapid screen identified 1 as a potent inhibitor of RecA nucleoprotein filament formation, and further characterization established 1 as an ATP-competitive inhibitor of RecA-catalyzed ATP hydrolysis. 1 and other inhibitors of RecA activities represent a new approach for understanding the molecular targets and pathways involved in the evolution of antibiotic resistance in bacteria.

  DOI：

  10.1021/jm050113z

文献信息

• INHIBITORS OF RecA ACTIVITIES FOR CONTROL OF ANTIBIOTIC-RESISTANT BACTERIAL PATHOGENS
  申请人：Singleton Scott Fain

  公开号：US20120135092A1

  公开（公告）日：2012-05-31

  Compounds for modulating RecA protein activity are provided. In some embodiments, the compounds modulate RecA activity by interfering with assembly of monomeric RecA protein subunits into a nucleoprotein filament. In some embodiments, the compounds modulate RecA activity by interfering with adenosine triphosphate hydrolysis by the RecA protein. In some embodiments, the compound is a N 6 -modified adenosine compound. Methods of screening for and methods of using the compounds are also provided.
• A Molecular Target for Suppression of the Evolution of Antibiotic Resistance:  Inhibition of the <i>Escherichia </i><i>c</i><i>oli</i> RecA Protein by <i>N</i>⁶-(1-Naphthyl)-ADP
  作者：Andrew M. Lee、Christian T. Ross、Bu-Bing Zeng、Scott F. Singleton

  DOI：10.1021/jm050113z

  日期：2005.8.1

  We report that N-6-(1-naphthyl)-ADP (1) inhibits the Escherichia coli RecA protein in vitro. A novel rapid screen identified 1 as a potent inhibitor of RecA nucleoprotein filament formation, and further characterization established 1 as an ATP-competitive inhibitor of RecA-catalyzed ATP hydrolysis. 1 and other inhibitors of RecA activities represent a new approach for understanding the molecular targets and pathways involved in the evolution of antibiotic resistance in bacteria.
• Inhibitors of RecA activities for control of antibiotic-resistant bacterial pathogens
  申请人：Singleton Fain Scott

  公开号：US20060199768A1

  公开（公告）日：2006-09-07

  Compounds for modulating RecA protein activity are provided. In some embodiments, the compounds modulate RecA activity by interfering with assembly of monomeric RecA protein subunits into a nucleoprotein filament. In some embodiments, the compounds modulate RecA activity by interfering with adenosine triphosphate hydrolysis by the RecA protein. Methods of screening for and methods of using the compounds are also provided.

  提供了用于调节RecA蛋白活性的化合物。在某些实施例中，这些化合物通过干扰单体RecA蛋白亚基的组装成为核蛋白丝来调节RecA活性。在某些实施例中，这些化合物通过干扰RecA蛋白的三磷酸腺苷水解来调节RecA活性。还提供了筛选这些化合物的方法和使用这些化合物的方法。