5,6-二硝基-1H-吲唑 | 59601-91-1

• 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: 5,6-二硝基-1H-吲唑
• 英文名称: 5,6-dinitro-1H-indazole
• 英文别名: 5,6-dinitro-indazole；5,6-dinitroindazole；5,6-dinitro-1(2)H-indazole；5,6-Dinitro-1(2)H-indazol；5,6-Dinitroindazol
• CAS: 59601-91-1
• 化学式: C₇H₄N₄O₄
• 分子量: 208.133
• InChiKey: TXKLPRHOQGGDQY-UHFFFAOYSA-N

物化性质

• 熔点：
  234-235°C
• 沸点：
  506.4±30.0 °C(Predicted)
• 密度：
  1.752±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于丙酮、DMSO（少量）、乙酸乙酯

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 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：
  120
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5,6-二硝基-1H-吲唑 在 盐酸 、 水 、 硝酸 、 氯 、 溶剂黄146 、 tin(ll) chloride 作用下， 生成 1(2)H-indazole-4,5,6,7-tetraone
  参考文献：
  名称：

  Fries et al., Justus Liebigs Annalen der Chemie, 1942, vol. 550, p. 31,44

  摘要：

  DOI：
• 作为产物：
  描述：

  6-硝基吲唑 在 硫酸 、 硝酸 作用下， 反应 16.0h， 以47%的产率得到5,6-二硝基-1H-吲唑
  参考文献：
  名称：

  [EN] COMPOUNDS AS PU. 1 INHIBITORS
  [FR] COMPOSÉS EN TANT QU'INHIBITEURS DE PU.1

  摘要：

  本文披露的是式(I)的化合物，它们是PU.1抑制剂。同时，本文还提供了制备这些化合物的方法。

  公开号：

  WO2022105825A1

文献信息

• Benzimidazole Derivatives And Their Pharmaceutical Compositions And Uses
  申请人：Huang Zhenhua

  公开号：US20130023568A1

  公开（公告）日：2013-01-24

  The present invention relates to benzimidazole derivatives and their pharmaceutical compositions and uses, specifically to benzimidazole derivatives of Formula (I), or their stereoisomer, pharmaceutically acceptable salt or solvates thereof, in which R 1 , R 2 , R 3 , R 4 , R 5 and n have the definitions in the description; the present invention further relates to a pharmaceutical composition containing the compounds, methods for preparing the compounds, and use of the compounds for manufacturing of a medicament for prophylaxis and/or treatment of peptic ulcer, ulcer hemorrhage and diseases associated with gastric acid.

  本发明涉及苯并咪唑衍生物及其制药组合物和用途，具体涉及公式（I）的苯并咪唑衍生物或其立体异构体、药学上可接受的盐或溶剂，其中R1、R2、R3、R4、R5和n在说明书中有定义；本发明还涉及含有该化合物的制药组合物、制备该化合物的方法以及利用该化合物制造用于预防和/或治疗消化性溃疡、溃疡出血和与胃酸有关的疾病的药物的用途。
• BENZIMIDAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS AND USES
  申请人：Xuanzhu Pharma Co., Ltd.

  公开号：US20160176892A1

  公开（公告）日：2016-06-23

  The present invention relates to benzimidazole derivatives and their pharmaceutical compositions and uses, specifically to benzimidazole derivatives of Formula (I), or their stereoisomer, pharmaceutically acceptable salt or solvates thereof, in which R 1 , R 2 , R 3 , R 4 , R 5 and n have the definitions in the description; the present invention further relates to a pharmaceutical composition containing the compounds, methods for preparing the compounds, and use of the compounds for manufacturing of a medicament for prophylaxis and/or treatment of peptic ulcer, ulcer hemorrhage and diseases associated with gastric acid.

  本发明涉及苯并咪唑衍生物及其制药组合物和用途，具体涉及公式（I）的苯并咪唑衍生物或其立体异构体，其药学上可接受的盐或溶剂，其中R1、R2、R3、R4、R5和n在说明中有定义；本发明还涉及含有该化合物的制药组合物，制备该化合物的方法，以及将该化合物用于制造预防和/或治疗消化性溃疡、溃疡出血和与胃酸有关的疾病的药物的用途。
• Benzimidazole derivatives and their pharmaceutical compositions and uses
  申请人：Huang Zhenhua

  公开号：US09315513B2

  公开（公告）日：2016-04-19

  The present invention relates to benzimidazole derivatives and their pharmaceutical compositions and uses, specifically to benzimidazole derivatives of Formula (I), or their stereoisomer, pharmaceutically acceptable salt or solvates thereof, in which R1, R2, R3, R4, R5 and n have the definitions in the description; the present invention further relates to a pharmaceutical composition containing the compounds, methods for preparing the compounds, and use of the compounds for manufacturing of a medicament for prophylaxis and/or treatment of peptic ulcer, ulcer hemorrhage and diseases associated with gastric acid.

  本发明涉及苯并咪唑衍生物及其制药组合物和用途，具体涉及式（I）的苯并咪唑衍生物、其立体异构体、药学上可接受的盐或溶剂，其中R1、R2、R3、R4、R5和n在说明书中有定义；本发明还涉及含有这些化合物的制药组合物、制备这些化合物的方法，以及利用这些化合物制造用于预防和/或治疗消化性溃疡、溃疡出血和与胃酸有关的疾病的药物的用途。
• BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF
  申请人：Xuanzhu Pharma Co., Ltd.

  公开号：EP2532665B1

  公开（公告）日：2016-09-07
• Synthesis and biological activities of pyrazolo[3,4-g]quinoxaline derivatives
  作者：Laurent Gavara、Emmanuelle Saugues、Georges Alves、Eric Debiton、Fabrice Anizon、Pascale Moreau

  DOI：10.1016/j.ejmech.2010.08.067

  日期：2010.11

  The synthesis of new pyrazolo[3,4-g]quinoxaline derivatives, as well as their Pim kinases (Pim-1, Pim-2, Pim-3) inhibitory potencies and in vitro antiproliferative activities toward a human fibroblast primary culture and three human solid cancer cell lines (PA1, PC3 and DU145) are described. The results obtained in this preliminary structure activity relationship study have pointed out that most of the compounds in this series exhibited interesting in vitro Pim-3 kinase inhibitory potencies. Moreover, some of the tested compounds have demonstrated favorable antiproliferative potencies. (C) 2010 Elsevier Masson SAS. All rights reserved.