(2R,3R,4R,5R,6S)-6-(((1S,2R,3R,4R,6S)-3-acetoxy-2-((2-(6-aminonicotinamido)ethyl)amino)-4,6-diazidocyclohexyl)oxy)-5-azido-2-(azidomethyl)tetrahydro-2H-pyran-3,4-diyl diacetate | 1432025-47-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2R,3R,4R,5R,6S)-6-(((1S,2R,3R,4R,6S)-3-acetoxy-2-((2-(6-aminonicotinamido)ethyl)amino)-4,6-diazidocyclohexyl)oxy)-5-azido-2-(azidomethyl)tetrahydro-2H-pyran-3,4-diyl diacetate
• CAS: 1432025-47-2
• 化学式: C₂₆H₃₄N₁₆O₉
• 分子量: 714.658
• InChiKey: TUKJFSHFCHESEP-JIKBHBDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.01
• 重原子数：
  51.0
• 可旋转键数：
  15.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  372.44
• 氢给体数：
  3.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  (2R,3R,4R,5R,6S)-6-(((1S,2R,3R,4R,6S)-3-acetoxy-2-((2-(6-aminonicotinamido)ethyl)amino)-4,6-diazidocyclohexyl)oxy)-5-azido-2-(azidomethyl)tetrahydro-2H-pyran-3,4-diyl diacetate 在 硫化氢 、 sodium methylate 、 三乙胺 作用下， 以 吡啶 、 甲醇 、 水 为溶剂， 生成 6-amino-N-(2-(((1S,2R,3S,5R,6S)-3,5-diamino-2-(((2S,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6-hydroxycyclohexyl)amino)ethyl)nicotinamide
  参考文献：
  名称：

  Neamine-heterocycle conjugates as potential anti-HIV agents

  摘要：

  A series of neamine-heterocycle conjugates were designed and synthesized. All new compounds displayed more potent inhibitory effect on HIV replication than neamine, among them two compounds displayed stronger anti-HIV activity than neomycin B. The results suggested that it might be a promising approach to modify neamine for the discovery of new anti-HIV agents. (C) 2013 Xiao-Lian Zhang, Xin-Shan Ye. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.03.009
• 作为产物：
  描述：

  1,3,2',6'-tetraazido-6,3',4'-tri-O-benzyl neamine 在 吡啶 、 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 6.5h， 生成 (2R,3R,4R,5R,6S)-6-(((1S,2R,3R,4R,6S)-3-acetoxy-2-((2-(6-aminonicotinamido)ethyl)amino)-4,6-diazidocyclohexyl)oxy)-5-azido-2-(azidomethyl)tetrahydro-2H-pyran-3,4-diyl diacetate
  参考文献：
  名称：

  Neamine-heterocycle conjugates as potential anti-HIV agents

  摘要：

  A series of neamine-heterocycle conjugates were designed and synthesized. All new compounds displayed more potent inhibitory effect on HIV replication than neamine, among them two compounds displayed stronger anti-HIV activity than neomycin B. The results suggested that it might be a promising approach to modify neamine for the discovery of new anti-HIV agents. (C) 2013 Xiao-Lian Zhang, Xin-Shan Ye. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.03.009