1-(4-Aminobutyl)-2-(4-hydroxyphenyl)-3-methylindol-5-ol | 1124291-87-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-(4-Aminobutyl)-2-(4-hydroxyphenyl)-3-methylindol-5-ol
• CAS: 1124291-87-7
• 化学式: C₁₉H₂₂N₂O₂
• 分子量: 310.396
• InChiKey: ZWYGQIBNUBUSHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  71.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-甲氧基-2-(4-甲氧基苯基)-3-甲基-1H-吲哚 在 aluminum (III) chloride 、 sodium hydride 、 乙硫醇 、 肼 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 、 1,1,2,2-四氯乙烷 为溶剂， 生成 1-(4-Aminobutyl)-2-(4-hydroxyphenyl)-3-methylindol-5-ol
  参考文献：
  名称：

  Tethered indoles as functionalizable ligands for the estrogen receptor

  摘要：

  To create ligands for the estrogen receptor that contain pendant groups for tethering to a poly(amido)amine (PAMAM) dendrimer, we have explored a class of N-substituted 2-phenyl indoles. Attachment of tethers of different length and chemical nature to this non-steroidal indole scaffold gave high affinity ligand-tether conjugates that can be easily functionalized. To further explore the utility of this system, an indole-conjugated dendrimer was prepared and evaluated as an estrogen receptor ligand. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.11.043

文献信息

• Tethered indoles as functionalizable ligands for the estrogen receptor
  作者：Bridget G. Trogden、Sung Hoon Kim、Shuyi Lee、John A. Katzenellenbogen

  DOI：10.1016/j.bmcl.2008.11.043

  日期：2009.1

  To create ligands for the estrogen receptor that contain pendant groups for tethering to a poly(amido)amine (PAMAM) dendrimer, we have explored a class of N-substituted 2-phenyl indoles. Attachment of tethers of different length and chemical nature to this non-steroidal indole scaffold gave high affinity ligand-tether conjugates that can be easily functionalized. To further explore the utility of this system, an indole-conjugated dendrimer was prepared and evaluated as an estrogen receptor ligand. (C) 2008 Elsevier Ltd. All rights reserved.