4-(4-Hydroxyphenyl)-1-[(1H-indol-3-yl)methyl]piperidin-4-ol | 925217-89-6

• 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: 4-(4-Hydroxyphenyl)-1-[(1H-indol-3-yl)methyl]piperidin-4-ol
• 英文别名: 4-(4-hydroxyphenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
• CAS: 925217-89-6
• 化学式: C₂₀H₂₂N₂O₂
• 分子量: 322.407
• InChiKey: RLEVEXRYULMVDM-UHFFFAOYSA-N

物化性质

• 沸点：
  579.3±50.0 °C(Predicted)
• 密度：
  1.309±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  59.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  芦竹碱 、 4-(4-羟基苯基)哌啶-4-醇 在 吡啶 作用下， 生成 4-(4-Hydroxyphenyl)-1-[(1H-indol-3-yl)methyl]piperidin-4-ol
  参考文献：
  名称：

  Analogues of the dopamine D2 receptor antagonist L741,626: Binding, function, and SAR

  摘要：

  A series of analogues of the dopamine D2 receptor antagonist L741,626 were synthesized and evaluated for binding and function at D2 family receptor subtypes. Several analogues showed comparable binding profiles to the parent ligand, however, in general, chemical modification served to reduce D2 binding affinity and selectivity. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.10.076

文献信息

• Analogues of the dopamine D2 receptor antagonist L741,626: Binding, function, and SAR
  作者：Peter Grundt、Sarah Little Jane Husband、Robert R. Luedtke、Michelle Taylor、Amy Hauck Newman

  DOI：10.1016/j.bmcl.2006.10.076

  日期：2007.2

  A series of analogues of the dopamine D2 receptor antagonist L741,626 were synthesized and evaluated for binding and function at D2 family receptor subtypes. Several analogues showed comparable binding profiles to the parent ligand, however, in general, chemical modification served to reduce D2 binding affinity and selectivity. (c) 2006 Elsevier Ltd. All rights reserved.