7-氨基-1-苄基-1H-吲唑 | 925668-31-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 7-氨基-1-苄基-1H-吲唑
• 英文名称: 7-amino-1-benzyl-1H-indazole
• 英文别名: 1-benzylindazol-7-amine；1-benzyl-1H-indazol-7-ylamine
• CAS: 925668-31-1
• 化学式: C₁₄H₁₃N₃
• 分子量: 223.277
• InChiKey: OHSDMQKEMBBQIP-UHFFFAOYSA-N

物化性质

• 熔点：
  131 °C
• 沸点：
  441.6±28.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  7-氨基-1-苄基-1H-吲唑 在 [双(三氟乙酰氧基)碘]苯 作用下， 以 水 、 乙腈 为溶剂， 以85%的产率得到1-benzyl-1H-indazole-4,7-dione
  参考文献：
  名称：

  Synthesis of N-benzylated indole-, indazole- and benzotriazole-4,7-diones

  摘要：

  The benzylation of 4,7-dimethoxy-1H-indole (5) followed by an oxidative demethylation led to 1-benzyl-1H-indole-4,7-dione (2) with a 73% overall yield. From the commercially available 7-nitro-1H-indazole (7), a three-step pathway was developed to access 1-benzyl-1H-indazole-4,7-dione (3). Two of these steps were investigated in order to improve the process. The direct synthesis of 1-benzyl-1H-benzotriazole-4,7-dione (4), through a 1,3-dipolar cycloaddition between benzyl azide and para-benzoquinone (13), was also studied. The simplicity of the methodologies described offers wide perspectives in obtaining 1-alkylated indole-, indazole- and benzotriazole-4,7-diones. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.086
• 作为产物：
  描述：

  7-硝基吲唑 在 potassium carbonate 、 氯化铵 、 锌 作用下， 以 甲醇 、 水 、 乙腈 为溶剂， 反应 19.0h， 生成 7-氨基-1-苄基-1H-吲唑
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS

  摘要：

  本发明涉及公式(I)化合物及其相关方面。

  公开号：

  WO2022049377A1

文献信息

• ACRYLAMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION
  申请人：Fancelli Daniele

  公开号：US20110195977A1

  公开（公告）日：2011-08-11

  Acrylamido derivatives useful as therapeutic agents, particularly for the prevention and/or treatment of diseases and conditions associated with the activity of the mitochondrial permeability transition pore (MPTP), such as the diseases characterized by ischemia/reperfusion, oxidative or degenerative tissue damage, are herein described. These compounds belong to the structural formula (I) wherein R, R′, R″, W and a are as defined in the specification. The invention also relates to the preparation of these compounds, as well as to pharmaceutical compositions comprising them.

  本文描述了丙烯酰胺衍生物作为治疗剂的有用性，特别是用于预防和/或治疗与线粒体通透性转换孔（MPTP）活性相关的疾病和病症，例如缺血/再灌注、氧化或退行性组织损伤等疾病。这些化合物属于结构式（I），其中R，R'，R''，W和a的定义如规范中所述。本发明还涉及这些化合物的制备，以及包含它们的药物组合物。
• Acrylomido derivatives useful as inhibitors of the mitochondrial permeability transition
  申请人：Fancelli Daniele

  公开号：US08669261B2

  公开（公告）日：2014-03-11

  Acrylamido derivatives useful as therapeutic agents, particularly for the prevention and/or treatment of diseases and conditions associated with the activity of the mitochondrial permeability transition pore (MPTP), such as the diseases characterized by ischemia/reperfusion, oxidative or degenerative tissue damage, are herein described. These compounds belong to the structural formula (I) wherein R, R′, R″, W and a are as defined in the specification. The invention also relates to the preparation of these compounds, as well as to pharmaceutical compositions comprising them.

  本文描述了丙烯酰胺衍生物作为治疗剂的用途，特别是用于预防和/或治疗与线粒体通透性转换孔（MPTP）的活性相关的疾病和病症，如缺血/再灌注、氧化或变性组织损伤等疾病。这些化合物属于结构式（I），其中R，R'，R"，W和a如规范中定义。本发明还涉及这些化合物的制备，以及包含它们的制药组合物。
• Acrylamido derivatives useful as inhibitors of the mitochondrial permeability transition
  申请人：Fancelli Daniele

  公开号：US08470831B2

  公开（公告）日：2013-06-25

  Acrylamido derivatives useful as therapeutic agents, particularly for the prevention and/or treatment of diseases and conditions associated with the activity of the mitochondrial permeability transition pore (MPTP), such as the diseases characterized by ischemia/reperfusion, oxidative or degenerative tissue damage, are herein described. These compounds belong to the structural formula (I) wherein R, R′, R″, W and a are as defined in the specification. The invention also relates to the preparation of these compounds, as well as to pharmaceutical compositions comprising them.

  本文介绍了丙烯酰胺衍生物作为治疗剂的用途，特别是用于预防和/或治疗与线粒体通透性转换孔（MPTP）活性相关的疾病和病症，例如缺血/再灌注、氧化或退行性组织损伤所特征的疾病。这些化合物属于结构式（I），其中R，R'，R"，W和a如规范中所定义。本发明还涉及这些化合物的制备，以及包含它们的制药组合物。
• ACRYLOMIDO DERIVATIVES USEFUL AS INHIBITORS OF THE MITOCHONDRIAL PERMEABILITY TRANSITION
  申请人：Fancelli Daniele

  公开号：US20130245019A1

  公开（公告）日：2013-09-19

  Acrylamido derivatives useful as therapeutic agents, particularly for the prevention and/or treatment of diseases and conditions associated with the activity of the mitochondrial permeability transition pore (MPTP), such as the diseases characterized by ischemia/reperfusion, oxidative or degenerative tissue damage, are herein described. These compounds belong to the structural formula (I) wherein R, R′, R″, W and a are as defined in the specification. The invention also relates to the preparation of these compounds, as well as to pharmaceutical compositions comprising them.

  本文描述了丙烯酰胺衍生物作为治疗剂的用途，特别是用于预防和/或治疗与线粒体通透性转换孔（MPTP）活性相关的疾病和病症，例如缺血/再灌注、氧化或变性组织损伤等疾病。这些化合物属于结构式（I），其中R、R'、R"、W和a的定义如规范中所述。本发明还涉及这些化合物的制备，以及包含它们的制药组合物。
• US8470831B2
  申请人：——

  公开号：US8470831B2

  公开（公告）日：2013-06-25