3-[5-(Azidomethyl)furan-2-yl]-1-methylindazole | 1345965-43-6

• 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: 3-[5-(Azidomethyl)furan-2-yl]-1-methylindazole
• CAS: 1345965-43-6
• 化学式: C₁₃H₁₁N₅O
• 分子量: 253.263
• InChiKey: FLIMQJMRZJWOSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  45.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-[5-(Azidomethyl)furan-2-yl]-1-methylindazole 在 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 为溶剂， 以57%的产率得到[5-(1-Methylindazol-3-yl)furan-2-yl]methanamine
  参考文献：
  名称：

  Design, synthesis and insight into the structure–activity relationship of 1,3-disubstituted indazoles as novel HIF-1 inhibitors

  摘要：

  Design, synthesis and insight into the structure-activity relationship (SAR) of 1,3-disubstituted indazoles as novel HIF-1 inhibitors are described. In particular, the substituted furan moiety on indazole skeleton as well as its substitution pattern turns out crucial for the high HIF-1 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.120
• 作为产物：
  描述：

  5-甲醛基呋喃-2-硼酸 在 sodium tetrahydroborate 、 四(三苯基膦)钯 、 叠氮磷酸二苯酯 、 碳酸氢钠 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙二醇二甲醚 、 乙醇 、 水 、 甲苯 为溶剂， 生成 3-[5-(Azidomethyl)furan-2-yl]-1-methylindazole
  参考文献：
  名称：

  Design, synthesis and insight into the structure–activity relationship of 1,3-disubstituted indazoles as novel HIF-1 inhibitors

  摘要：

  Design, synthesis and insight into the structure-activity relationship (SAR) of 1,3-disubstituted indazoles as novel HIF-1 inhibitors are described. In particular, the substituted furan moiety on indazole skeleton as well as its substitution pattern turns out crucial for the high HIF-1 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.120

文献信息

• Design, synthesis and insight into the structure–activity relationship of 1,3-disubstituted indazoles as novel HIF-1 inhibitors
  作者：Hongchan An、Nam-Jung Kim、Jong-Wha Jung、Hannah Jang、Jong-Wan Park、Young-Ger Suh

  DOI：10.1016/j.bmcl.2011.08.120

  日期：2011.11

  Design, synthesis and insight into the structure-activity relationship (SAR) of 1,3-disubstituted indazoles as novel HIF-1 inhibitors are described. In particular, the substituted furan moiety on indazole skeleton as well as its substitution pattern turns out crucial for the high HIF-1 inhibition. (C) 2011 Elsevier Ltd. All rights reserved.