4-(3-pyrrolo[2,3-b]pyridin-1-ylpropoxy)benzaldehyde | 873465-86-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 4-(3-pyrrolo[2,3-b]pyridin-1-ylpropoxy)benzaldehyde
• CAS: 873465-86-2
• 化学式: C₁₇H₁₆N₂O₂
• 分子量: 280.326
• InChiKey: RJKKNARMVFXFGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  44.12
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-(3-pyrrolo[2,3-b]pyridin-1-ylpropoxy)benzaldehyde 在 palladium on activated charcoal potassium tert-butylate 、 氢气 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 20.0 ℃ 、303.98 kPa 条件下， 反应 7.0h， 生成
  参考文献：
  名称：

  Synthesis and evaluation of azaindole-α-alkyloxyphenylpropionic acid analogues as PPARα/γ agonists

  摘要：

  A series of azaindole-alpha-alkyloxyphenylpropionic acid analogues was synthesized and evaluated for PPAR agonist activities. Structure-activity relationship was developed for PPAR alpha/gamma dual agonism. One of the synthesized compound 7a was identified as a potent, selective PPAR alpha/gamma dual agonist. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.09.040
• 作为产物：
  描述：

  7-氮杂吲哚 、 4-(3-溴丙基氧基)苯甲醛 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 反应 2.0h， 生成 4-(3-pyrrolo[2,3-b]pyridin-1-ylpropoxy)benzaldehyde
  参考文献：
  名称：

  Synthesis and evaluation of azaindole-α-alkyloxyphenylpropionic acid analogues as PPARα/γ agonists

  摘要：

  A series of azaindole-alpha-alkyloxyphenylpropionic acid analogues was synthesized and evaluated for PPAR agonist activities. Structure-activity relationship was developed for PPAR alpha/gamma dual agonism. One of the synthesized compound 7a was identified as a potent, selective PPAR alpha/gamma dual agonist. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.09.040

文献信息

• Design and synthesis of 6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid derivatives as PPARγ activators
  作者：Rakesh Kumar、Amit Mittal、Uma Ramachandran

  DOI：10.1016/j.bmcl.2007.05.081

  日期：2007.8

  The design and synthesis of novel series of 6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid (pyrimidone) derivatives that are high affinity ligands for peroxisome proliferators activated receptor gamma have been reported as a potential substitute of 2.4-thiazolidinedione head group. The FlexX docking and radioligand binding affinity of some promising compounds of this series is comparable to that of thiazolidinedione based antidiabetic drugs currently in clinical use. (c) 2007 Elsevier Ltd. All rights reserved.