2,4-Bis-[1-(4-fluoro-phenyl)-meth-(E)-ylidene]-8-methyl-8-aza-bicyclo[3.2.1]octan-3-one

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: 2,4-Bis-[1-(4-fluoro-phenyl)-meth-(E)-ylidene]-8-methyl-8-aza-bicyclo[3.2.1]octan-3-one
• 英文别名: (2E,4E)-2,4-bis[(4-fluorophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
• 化学式: C₂₂H₁₉F₂NO
• 分子量: 351.396
• InChiKey: YNDPKLQENDQLRZ-KLCVKJMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  26
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,4-Bis-[1-(4-fluoro-phenyl)-meth-(E)-ylidene]-8-methyl-8-aza-bicyclo[3.2.1]octan-3-one 在 盐酸 、 汞 、 锌 作用下， 以 1,4-二氧六环 为溶剂， 生成 (1R,4R,5S)-2,4-Bis-(4-fluoro-benzyl)-8-methyl-8-aza-bicyclo[3.2.1]oct-2-ene
  参考文献：
  名称：

  Synthesis and evaluation of a series of tropane analogues as novel vesicular monoamine transporter-2 ligands

  摘要：

  A series of tropane derivatives has been synthesized as lobelane analogues and evaluated for their binding affinity at the vesicular monoamine transporter-2 (VMAT2), and at alpha 4 beta 2* and alpha 7* nicotinic acetylcholine receptors. The trop-2-ene analogues 4a and 4b exhibited good affinity and high selectivity for VMAT2. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.032

文献信息

• Synthesis and evaluation of a series of tropane analogues as novel vesicular monoamine transporter-2 ligands
  作者：Guangrong Zheng、Linda P. Dwoskin、Agripina G. Deaciuc、Peter A. Crooks

  DOI：10.1016/j.bmcl.2005.07.032

  日期：2005.10

  A series of tropane derivatives has been synthesized as lobelane analogues and evaluated for their binding affinity at the vesicular monoamine transporter-2 (VMAT2), and at alpha 4 beta 2* and alpha 7* nicotinic acetylcholine receptors. The trop-2-ene analogues 4a and 4b exhibited good affinity and high selectivity for VMAT2. (c) 2005 Elsevier Ltd. All rights reserved.