| 1189543-49-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1189543-49-4
• 化学式: C₁₁₃H₁₆₁N₁₅O₃₀S₂
• 分子量: 2273.74
• InChiKey: PCPXGXRBGFOIAR-URHGRVNMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.44
• 重原子数：
  160.0
• 可旋转键数：
  45.0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  561.1
• 氢给体数：
  16.0
• 氢受体数：
  36.0

反应信息

• 作为反应物：
  描述：

  、 三氟乙酸 以 二氯甲烷 为溶剂， 以100%的产率得到NHP
  参考文献：
  名称：

  Triple recognition of B-DNA

  摘要：

  A novel conjugate of Hoechst 33258, pyrene and neomycin was synthesized and examined for its binding and stabilization of A-T rich DNA duplexes using spectroscopic and viscometric techniques. The conjugate, containing three well known ligands that bind nucleic acids albeit in different binding modes, was found to significantly stabilize DNA over parent conjugates containing only one or both of the other recognition elements. The study represents the first example of DNA molecular recognition capable of minor/major groove recognition in conjunction with intercalation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.079
• 作为产物：
  描述：

  次磷酸 、 neomycin thioisocyanate 在 吡啶 、 4-二甲氨基吡啶 作用下， 以52%的产率得到
  参考文献：
  名称：

  Triple recognition of B-DNA

  摘要：

  A novel conjugate of Hoechst 33258, pyrene and neomycin was synthesized and examined for its binding and stabilization of A-T rich DNA duplexes using spectroscopic and viscometric techniques. The conjugate, containing three well known ligands that bind nucleic acids albeit in different binding modes, was found to significantly stabilize DNA over parent conjugates containing only one or both of the other recognition elements. The study represents the first example of DNA molecular recognition capable of minor/major groove recognition in conjunction with intercalation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.079