epi-5-deoxy-5-[2-(6-hydroxynicotinyl)aminoethyl]amino-1,3,2',6'-tetraazido-6,3',4'-tri-O-acetylneamine | 1432025-45-0

• 分子结构分类: 有机化合物 - 生物碱及其衍生物
• 英文名称: epi-5-deoxy-5-[2-(6-hydroxynicotinyl)aminoethyl]amino-1,3,2',6'-tetraazido-6,3',4'-tri-O-acetylneamine
• CAS: 1432025-45-0
• 化学式: C₂₆H₃₃N₁₅O₁₀
• 分子量: 715.643
• InChiKey: UVNSYQDDKVEULN-JIKBHBDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.13
• 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：
  366.65
• 氢给体数：
  3.0
• 氢受体数：
  16.0

反应信息

• 作为反应物：
  描述：

  epi-5-deoxy-5-[2-(6-hydroxynicotinyl)aminoethyl]amino-1,3,2',6'-tetraazido-6,3',4'-tri-O-acetylneamine 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成
  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 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 18.5h， 生成 epi-5-deoxy-5-[2-(6-hydroxynicotinyl)aminoethyl]amino-1,3,2',6'-tetraazido-6,3',4'-tri-O-acetylneamine
  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