(1S,5R)-1-(pyridin-2-yl)-3-oxabicyclo[3.1.0]hexan-2-one | 1057110-33-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (1S,5R)-1-(pyridin-2-yl)-3-oxabicyclo[3.1.0]hexan-2-one
• CAS: 1057110-33-4
• 化学式: C₁₀H₉NO₂
• 分子量: 175.187
• InChiKey: NCEIKROLIZAYLG-XVKPBYJWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  39.19
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (1S,5R)-1-(pyridin-2-yl)-3-oxabicyclo[3.1.0]hexan-2-one 、 potassium phtalimide 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成
  参考文献：
  名称：

  Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors

  摘要：

  A series of milnacipran analogs containing a heteroaromatic group were synthesized and studied as monoamine transporter inhibitors. Many compounds exhibited higher potency than milnacipran at NET and NET/SERT with no significant change in lipophilicity. For example, compound R-26f was about 10-fold more potent than milnacipran with IC(50) values of 8.7 and 26 nM at NET and SERT, respectively. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.045
• 作为产物：
  描述：

  2-吡啶乙腈 、 左旋环氧氯丙烷 反应 16.0h， 生成 (1S,5R)-1-(pyridin-2-yl)-3-oxabicyclo[3.1.0]hexan-2-one
  参考文献：
  名称：

  Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors

  摘要：

  A series of milnacipran analogs containing a heteroaromatic group were synthesized and studied as monoamine transporter inhibitors. Many compounds exhibited higher potency than milnacipran at NET and NET/SERT with no significant change in lipophilicity. For example, compound R-26f was about 10-fold more potent than milnacipran with IC(50) values of 8.7 and 26 nM at NET and SERT, respectively. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.045