| 1429219-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• CAS: 1429219-60-2
• 化学式: C₁₂H₁₆N₄Si
• 分子量: 244.371
• InChiKey: AQCZBRALEKSEPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.17
• 重原子数：
  17.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  70.49
• 氢给体数：
  3.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  5-nitro-1-(tetrahydro-2H-pyran-2-yl)-7-(trimethylsilyl)-1,6-dihydropyrrolo[2,3-g]indazole 在 platinum(IV) oxide 、 氢气 、 溶剂黄146 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 反应 40.0h， 生成
  参考文献：
  名称：

  Identification of pyrrolo[2,3-g]indazoles as new Pim kinase inhibitors

  摘要：

  The synthesis and Pim kinase inhibition potency of a new series of pyrrolo[2,3-g] indazole derivatives is described. The results obtained in this preliminary structure-activity relationship study pointed out that sub-micromolar Pim-1 and Pim-3 inhibitory potencies could be obtained in this series, more particularly for compounds 10 and 20, showing that pyrrolo[2,3-g] indazole scaffold could be used for the development of new potent Pim kinase inhibitors. Molecular modeling experiments were also performed to study the binding mode of these compounds in Pim-3 ATP-binding pocket. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.074

文献信息

• Identification of pyrrolo[2,3-g]indazoles as new Pim kinase inhibitors
  作者：Laurent Gavara、Virginie Suchaud、Lionel Nauton、Vincent Théry、Fabrice Anizon、Pascale Moreau

  DOI：10.1016/j.bmcl.2013.02.074

  日期：2013.4

  The synthesis and Pim kinase inhibition potency of a new series of pyrrolo[2,3-g] indazole derivatives is described. The results obtained in this preliminary structure-activity relationship study pointed out that sub-micromolar Pim-1 and Pim-3 inhibitory potencies could be obtained in this series, more particularly for compounds 10 and 20, showing that pyrrolo[2,3-g] indazole scaffold could be used for the development of new potent Pim kinase inhibitors. Molecular modeling experiments were also performed to study the binding mode of these compounds in Pim-3 ATP-binding pocket. (C) 2013 Elsevier Ltd. All rights reserved.