(1S,12S,14R)-4-[6-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl]hexyl]-9-methoxy-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-4,6(17),7,9,15-pentaen-14-ol;bromide

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 石蒜科生物碱
• 英文名称: (1S,12S,14R)-4-[6-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl]hexyl]-9-methoxy-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-4,6(17),7,9,15-pentaen-14-ol;bromide
• 化学式: Br*C₃₈H₄₇N₂O₆
• 分子量: 707.705
• InChiKey: IEPSBHWCXUBKQV-MNTUVJJDSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  47
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-去甲基加兰它敏氢溴酸盐 在 N-溴代丁二酰亚胺(NBS) 、 sodium carbonate 作用下， 以 乙腈 为溶剂， 反应 188.0h， 生成 (1S,12S,14R)-4-[6-[(1S,12S,14R)-14-hydroxy-9-methoxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-4-yl]hexyl]-9-methoxy-11-oxa-4-azoniatetracyclo[8.6.1.01,12.06,17]heptadeca-4,6(17),7,9,15-pentaen-14-ol;bromide
  参考文献：
  名称：

  Potent acetylcholinesterase inhibitors: design, synthesis and structure–activity relationships of alkylene linked bis-galanthamine and galanthamine–galanthaminium salts

  摘要：

  The syntheses, the anticholinesterase activities and structure-activity relationships of homodimeric (3a-c) and heterodimeric (6a-c) alkylene linked bis-galanthamine are reported. Compounds 6b-c were found to be more potent than galanthamine and tacrine in inhibiting AChE. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00059-7

文献信息

• Potent acetylcholinesterase inhibitors: design, synthesis and structure–activity relationships of alkylene linked bis-galanthamine and galanthamine–galanthaminium salts
  作者：Catherine Guillou、Aude Mary、Dolor Zafiarisoa Renko、Emmanuel Gras、Claude Thal

  DOI：10.1016/s0960-894x(00)00059-7

  日期：2000.4

  The syntheses, the anticholinesterase activities and structure-activity relationships of homodimeric (3a-c) and heterodimeric (6a-c) alkylene linked bis-galanthamine are reported. Compounds 6b-c were found to be more potent than galanthamine and tacrine in inhibiting AChE. (C) 2000 Elsevier Science Ltd. All rights reserved.