methyl 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetate | 1261769-24-7

• 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: methyl 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetate
• CAS: 1261769-24-7
• 化学式: C₁₀H₁₀N₂O₂
• 分子量: 190.202
• InChiKey: MYUCETRAUBWCEH-UHFFFAOYSA-N

物化性质

• 沸点：
  355.3±27.0 °C(Predicted)
• 密度：
  1.285±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2R)-2-(2-[[tert-butyl(dimethyl)silyl]oxy]ethyl)-1-(4-fluorobenzenesulfonyl)aziridine 、 methyl 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetate 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl 2-[1-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-[(4-fluorophenyl)sulfonylamino]butyl]pyrrolo[3,2-b]pyridin-3-yl]acetate
  参考文献：
  名称：

  Azaindoles as potent CRTH2 receptor antagonists

  摘要：

  A new class of 7-azaindole analogs of MK-7246 as potent and selective CRTH2 antagonists is reported. The SAR leading to the identification of the optimal azaindole regioisomer as well as the pharmacokinetics and off-target activities of the most potent antagonists are disclosed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.084

文献信息

• Azaindoles as potent CRTH2 receptor antagonists
  作者：Daniel Simard、Yves Leblanc、Carl Berthelette、M. Helmi Zaghdane、Carmela Molinaro、Zhaoyin Wang、Michel Gallant、Stephen Lau、Trinh Thao、Martine Hamel、Rino Stocco、Nicole Sawyer、Susan Sillaots、Francois Gervais、Robert Houle、Jean-François Lévesque

  DOI：10.1016/j.bmcl.2010.11.084

  日期：2011.1

  A new class of 7-azaindole analogs of MK-7246 as potent and selective CRTH2 antagonists is reported. The SAR leading to the identification of the optimal azaindole regioisomer as well as the pharmacokinetics and off-target activities of the most potent antagonists are disclosed. (C) 2010 Elsevier Ltd. All rights reserved.