| 1554421-66-7

• CAS: 1554421-66-7
• 化学式: C₉H₁₂N₆O₃
• 分子量: 252.233
• InChiKey: LYFVBBZKWRKBLV-QMGXLNLGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 重原子数：
  18.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  129.16
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 sodium hydroxide 、 三甲基膦 作用下， 以 四氢呋喃 为溶剂， 反应 12.0h， 以10 mg的产率得到(5aR,6R,7S,8R,9aS)-8-amino-5a,6,7,8,9,9a-hexahydro-4H-benzo[b][1,2,3]triazolo[1,5-d][1,4]oxazine-6,7-diol
  参考文献：
  名称：

  Synthesis of triazole-functionalized 2-DOS analogues and their evaluation as A-site binders

  摘要：

  Aminoglycoside-antibiotics represent important tools for studying the biological functions of RNA. An orthogonal protection strategy applied on 2-deoxystreptamine (2-DOS) revealed a series of key intermediates that enable its regioselective functionalization. Our approach allowed the construction of selected representatives of triazole-containing analogues with diverse molecular frameworks for biological evaluation regarding their binding and antibacterial potencies. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.12.125
• 作为产物：
  描述：

  (3aS,3bR,9aS,11R,11aS)-11-azido-3b,5,9a,10,11,11a-hexahydro-3aH-spiro[[1,3]dioxolo[4',5':5,6]benzo[1,2-b][1,2,3]triazolo[1,5-d][1,4]oxazine-2,1'-cyclohexane] 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Synthesis of triazole-functionalized 2-DOS analogues and their evaluation as A-site binders

  摘要：

  Aminoglycoside-antibiotics represent important tools for studying the biological functions of RNA. An orthogonal protection strategy applied on 2-deoxystreptamine (2-DOS) revealed a series of key intermediates that enable its regioselective functionalization. Our approach allowed the construction of selected representatives of triazole-containing analogues with diverse molecular frameworks for biological evaluation regarding their binding and antibacterial potencies. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.12.125