epi-5-[(2-aminoethyl)amino]-5-deoxy-1,3,2',6'-tetraazido-6,3',4'-tri-O-benzylneamine | 1432025-49-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: epi-5-[(2-aminoethyl)amino]-5-deoxy-1,3,2',6'-tetraazido-6,3',4'-tri-O-benzylneamine
• CAS: 1432025-49-4
• 化学式: C₃₅H₄₂N₁₄O₅
• 分子量: 738.809
• InChiKey: LXEHHSKZXFTXHA-PYLNXMNUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.52
• 重原子数：
  54.0
• 可旋转键数：
  19.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  279.24
• 氢给体数：
  2.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  epi-5-[(2-aminoethyl)amino]-5-deoxy-1,3,2',6'-tetraazido-6,3',4'-tri-O-benzylneamine 在 palladium on activated charcoal 、 水 、 氢气 、 三苯基膦 作用下， 以 四氢呋喃 、 水 、 溶剂黄146 为溶剂， 反应 96.0h， 生成 Nea-Eda
  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：

  5-O-triflyl-1,3,2',6'-tetraazido-6,3',4'-tri-O-benzylneamine 、 乙二胺 以 乙腈 为溶剂， 以471 mg的产率得到epi-5-[(2-aminoethyl)amino]-5-deoxy-1,3,2',6'-tetraazido-6,3',4'-tri-O-benzylneamine
  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