11-N-methylmoloka'iamine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 11-N-methylmoloka'iamine
• 英文别名: 3-[2,6-Dibromo-4-[2-(methylamino)ethyl]phenoxy]propan-1-amine
• 化学式: C₁₂H₁₈Br₂N₂O
• 分子量: 366.096
• InChiKey: UBKAPQUGBMVSBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  47.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  11-N-methylmoloka'iamine 在 碳酸氢钠 、 sodium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 12.5h， 生成 (2-{3,5-Dibromo-4-[3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-propoxy]-phenyl}-ethyl)-methyl-cyanamide
  参考文献：
  名称：

  Novel Bromotyrosine Derivatives That Inhibit Growth of the Fish Pathogenic Bacterium Aeromonas hydrophila, from a Marine Sponge Hexadella sp.¹

  摘要：

  Three new bromotyrosine derivatives, 11-N-methylmoloka'iamine (1), 11-N-eyano-11-N-methylmoloka'iamine (2), and kuchinoenamine (3), were isolated as antibacterial constituents from a marine sponge Hexadella sp. Their structures were elucidated on the basis of spectral and chemical methods. They exhibited moderate antibacterial activity against the fish pathogenic bacterium Aeromonas hydrophila.

  DOI：

  10.1021/jo048203j

文献信息

• Novel Bromotyrosine Derivatives That Inhibit Growth of the Fish Pathogenic Bacterium <i>Aeromonas </i><i>h</i><i>ydrophila</i>, from a Marine Sponge <i>Hexadella</i> sp.¹
  作者：Shigeki Matsunaga、Hirotsugu Kobayashi、Rob W. M. van Soest、Nobuhiro Fusetani

  DOI：10.1021/jo048203j

  日期：2005.3.1

  Three new bromotyrosine derivatives, 11-N-methylmoloka'iamine (1), 11-N-eyano-11-N-methylmoloka'iamine (2), and kuchinoenamine (3), were isolated as antibacterial constituents from a marine sponge Hexadella sp. Their structures were elucidated on the basis of spectral and chemical methods. They exhibited moderate antibacterial activity against the fish pathogenic bacterium Aeromonas hydrophila.