| 1401611-38-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1401611-38-8
• 化学式: C₆₃H₈₅NO₁₉
• 分子量: 1161.35
• InChiKey: ZNWDBQAUSAUOHB-ZZNONPMBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.38
• 重原子数：
  83.0
• 可旋转键数：
  6.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  320.92
• 氢给体数：
  11.0
• 氢受体数：
  19.0

反应信息

• 作为反应物：
  描述：

  在 哌啶 、 三乙酰氧基硼氢化钠 作用下， 以 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  Possible conformation of amphotericin B dimer in membrane-bound assembly as deduced from solid-state NMR

  摘要：

  Aiming for structural analysis of amphotericin B (AmB) ion-channel assemblies in membrane, a covalent dimer was synthesized between C-13-labled AmB methyl ester and F-19-labled AmB. The dimer showed slightly weaker but significant biological activities against fungi and red blood cells compared with those of monomeric AmB. Then the dimer was subjected to C-13{F-19}REDOR (Rotational-Echo Double Resonance) experiments in hydrated lipid bilayers. The obtained REDOR dephasing effects were explained by two components; a short C-13/F-19 distance (6.9 angstrom) accounting for 23% of the REDOR dephasing, and a longer one (14 angstrom) comprising the rest of the dephasing. The shorter distance is likely to reflect the formation of barrel-stave ion channel. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.08.016