2-(2-(4-(1H-indol-3-yl)-5,6-dihydropyridin-1-(2H)-yl)ethyl)isoindoline-1,3-dione | 871122-71-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-(2-(4-(1H-indol-3-yl)-5,6-dihydropyridin-1-(2H)-yl)ethyl)isoindoline-1,3-dione
• 英文别名: 2-[2-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]isoindole-1,3-dione
• CAS: 871122-71-3
• 化学式: C₂₃H₂₁N₃O₂
• 分子量: 371.439
• InChiKey: QHRYHJFHAGEZKT-UHFFFAOYSA-N

物化性质

• 沸点：
  603.6±55.0 °C(Predicted)
• 密度：
  1.318±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  56.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-(4-(1H-indol-3-yl)-5,6-dihydropyridin-1-(2H)-yl)ethyl)isoindoline-1,3-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 以40%的产率得到2-(4-(1H-indol-3-yl)-5,6-dihydropyridin-1-(2H)-yl)ethanamine
  参考文献：
  名称：

  Inhibitors of the serotonin transporter protein (SERT): The design and synthesis of biotinylated derivatives of 3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indoles. High-affinity serotonergic ligands for conjugation with quantum dots

  摘要：

  There is a growing demand for compounds with specificity for the serotonin transporter protein (SERT) that can be conjugated to cadmium selenide/zinc sulfide core shell nanocrystals. This letter describes the design and synthesis of two different biotinylated SERT antagonists that can be attached to streptavidin-coated cadmium selenide/zinc sulfide core shell nanocrystals. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.030
• 作为产物：
  描述：

  4-氧代哌啶酮盐酸盐 在 氢氧化钾 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 24.0h， 生成 2-(2-(4-(1H-indol-3-yl)-5,6-dihydropyridin-1-(2H)-yl)ethyl)isoindoline-1,3-dione
  参考文献：
  名称：

  Inhibitors of the serotonin transporter protein (SERT): The design and synthesis of biotinylated derivatives of 3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indoles. High-affinity serotonergic ligands for conjugation with quantum dots

  摘要：

  There is a growing demand for compounds with specificity for the serotonin transporter protein (SERT) that can be conjugated to cadmium selenide/zinc sulfide core shell nanocrystals. This letter describes the design and synthesis of two different biotinylated SERT antagonists that can be attached to streptavidin-coated cadmium selenide/zinc sulfide core shell nanocrystals. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.030