(1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-oxabicyclo[3.1.0]hexan-2-one | 1042171-09-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-oxabicyclo[3.1.0]hexan-2-one
• CAS: 1042171-09-4
• 化学式: C₁₄H₁₄O₂
• 分子量: 214.264
• InChiKey: VNVZZWANQRZRPP-GXTWGEPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.99
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

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

  Identification of 1S,2R-milnacipran analogs as potent norepinephrine and serotonin transporter inhibitors

  摘要：

  A series of milnacipran analogs were synthesized and studied as monoamine transporter inhibitors, and several potent compounds with moderate lipophilicity were identified from the 1S, 2R-isomers. Thus, 15l exhibited IC50 values of 1.7 nM at NET and 25 nM at SERT, which were, respectively, 20- and 13-fold more potent than 1S, 2R-milnacipran 1-II. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.025
• 作为产物：
  描述：

  左旋环氧氯丙烷 、 (5-indanyl)acetonitrile 在 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 (1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-oxabicyclo[3.1.0]hexan-2-one
  参考文献：
  名称：

  Studies on the structure–activity relationship of bicifadine analogs as monoamine transporter inhibitors

  摘要：

  Compounds with various activities and selectivities were discovered through structure -activity relationship studies of bicifadine analogs as monoamine transporter inhibitors. The norepinephrine-selective 2-thienyl compound S-6j was efficacious in a rodent pain model. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.077