7-Iodo-5-nitro-1H-indazole | 1208228-60-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 7-Iodo-5-nitro-1H-indazole
• CAS: 1208228-60-7
• 化学式: C₇H₄IN₃O₂
• 分子量: 289.032
• InChiKey: MHSJDQGRGXXNPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-Iodo-5-nitro-1H-indazole 在 铁粉 、 溶剂黄146 作用下， 反应 6.0h， 以64%的产率得到7-Iodo-1H-indazol-5-amine
  参考文献：
  名称：

  2,4-Diaminopyrimidine MK2 inhibitors. Part II: Structure-based inhibitor optimization

  摘要：

  We describe structure-based optimization of a series of novel 2,4-diaminopyrimidine MK2 inhibitors. Co-crystal structures (see accompanying Letter) demonstrated a unique inhibitor binding mode. Resulting inhibitors had IC50 values as low as 19 nM and moderate selectivity against a kinase panel. Compounds 15, 31a, and 31b inhibit TNF alpha production in peripheral human monocytes. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.103
• 作为产物：
  描述：

  2-氨基-3-碘-5-硝基甲苯 在 溶剂黄146 、 sodium nitrite 作用下， 反应 4.0h， 以60%的产率得到7-Iodo-5-nitro-1H-indazole
  参考文献：
  名称：

  2,4-Diaminopyrimidine MK2 inhibitors. Part II: Structure-based inhibitor optimization

  摘要：

  We describe structure-based optimization of a series of novel 2,4-diaminopyrimidine MK2 inhibitors. Co-crystal structures (see accompanying Letter) demonstrated a unique inhibitor binding mode. Resulting inhibitors had IC50 values as low as 19 nM and moderate selectivity against a kinase panel. Compounds 15, 31a, and 31b inhibit TNF alpha production in peripheral human monocytes. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.103