2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine | 42770-24-1

• 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: 2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine
• 英文别名: 2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine
• CAS: 42770-24-1
• 化学式: C₉H₁₀N₂S
• 分子量: 178.258
• InChiKey: OXIMNMFJNUJIHA-UHFFFAOYSA-N

物化性质

• 沸点：
  359.2±35.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  54
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine 在 镍 作用下， 以 乙醇 为溶剂， 生成 2-甲基-7-氮杂吲哚
  参考文献：
  名称：

  Highly functionalized 7-azaindoles as selective PPARγ modulators

  摘要：

  A series of highly functionalized 3-aroyl and 3-phenoxy-2-methyl-7-azaindoles have been identified, which are potent selective PPAR gamma modulators (SPPAR gamma Ms). Addition of substituents at the 6-position of the 7-azaindoles improves in vitro potency and pharmacokinetics. 7-Azaindoles have significantly improved off-target profiles compared to the parent indole series. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.103

文献信息

• Highly functionalized 7-azaindoles as selective PPARγ modulators
  作者：Sheryl D. Debenham、Audrey Chan、Fiona WaiYu Lau、Weiguo Liu、Harold B. Wood、Karen Lemme、Lawrence Colwell、Bahanu Habulihaz、Taro E. Akiyama、Monica Einstein、Thomas W. Doebber、Neelam Sharma、Chaunlin F. Wang、Margaret Wu、Joel P. Berger、Peter T. Meinke

  DOI：10.1016/j.bmcl.2008.07.103

  日期：2008.9

  A series of highly functionalized 3-aroyl and 3-phenoxy-2-methyl-7-azaindoles have been identified, which are potent selective PPAR gamma modulators (SPPAR gamma Ms). Addition of substituents at the 6-position of the 7-azaindoles improves in vitro potency and pharmacokinetics. 7-Azaindoles have significantly improved off-target profiles compared to the parent indole series. (C) 2008 Elsevier Ltd. All rights reserved.