SAC-I-37

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: SAC-I-37
• 英文别名: 3-(2-Benzhydryloxy-ethylidene)-8-benzyl-8-aza-bicyclo[3.2.1]octane；3-(2-benzhydryloxyethylidene)-8-benzyl-8-azabicyclo[3.2.1]octane
• 化学式: C₂₉H₃₁NO
• 分子量: 409.571
• InChiKey: FENDTBMFHNEILH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  托品酮 在 氢氧化钾 、 lithium aluminium tetrahydride 、 potassium carbonate 、 一水合肼 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 lithium chloride 作用下， 以 四氢呋喃 、 乙二醇 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 生成 SAC-I-37
  参考文献：
  名称：

  Synthesis of dopamine transporter selective 3-{2-(Diarylmethoxyethylidene)}-8-alkylaryl-8-azabicyclo[3.2.1]octanes

  摘要：

  A series of 3-{2-(diarylmethoxyethylidene)}-8-alkylaryl-8-azabicyclo[3.2.1]octanes was synthesized and the binding affinities of the compounds were determined at the dopamine and serotonin transporters. The 8-phenylpropyl analogues 8a (K-i = 4.1 nM) and 8b (K-i = 3.7 nM) were the most potent compounds of the series with binding affinities 3 times greater than GBR12909. In addition, 8a (SERT DAT 327) was over 300-fold more selective for the dopamine transporter than the serotonin transporter. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01051-x

文献信息

• Synthesis of dopamine transporter selective 3-{2-(Diarylmethoxyethylidene)}-8-alkylaryl-8-azabicyclo[3.2.1]octanes
  作者：Amy L. Bradley、Sari Izenwasser、Dean Wade、Shaine Cararas、Mark L. Trudell

  DOI：10.1016/s0960-894x(02)01051-x

  日期：2003.2

  A series of 3-2-(diarylmethoxyethylidene)}-8-alkylaryl-8-azabicyclo[3.2.1]octanes was synthesized and the binding affinities of the compounds were determined at the dopamine and serotonin transporters. The 8-phenylpropyl analogues 8a (K-i = 4.1 nM) and 8b (K-i = 3.7 nM) were the most potent compounds of the series with binding affinities 3 times greater than GBR12909. In addition, 8a (SERT DAT 327) was over 300-fold more selective for the dopamine transporter than the serotonin transporter. (C) 2003 Elsevier Science Ltd. All rights reserved.