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.