5-(5-nitro-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole | 1085453-51-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(5-nitro-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• 英文别名: 5-(5-Nitro-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• CAS: 1085453-51-5
• 化学式: C₁₂H₆F₃N₅O₄
• 分子量: 341.206
• InChiKey: MZLUKBQMQJMDQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  5-(5-nitro-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole 在 钯 氢气 、 crude product 、 silica 、 cyclohexane, ethyl acetate 作用下， 以 乙酸乙酯 为溶剂， 25.0 ℃ 、13.33 MPa 条件下， 以affording the title compound as a solid (322 mg, 93%)的产率得到3-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-1H-pyrazol-5-amine
  参考文献：
  名称：

  Heteroaryl substituted pyrazole derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis

  摘要：

  本发明涉及新型杂环取代吡唑化合物、含有这些化合物的药物组合物以及将这些化合物或组合物用于治疗过度增殖和/或血管生成障碍的方法，作为单一药物或与其他活性成分或治疗措施联合使用。

  公开号：

  US08796253B2
• 作为产物：
  描述：

  4-(三氟甲氧基)苄胺肟 、 5-nitropyrazole-3-carboxylic acid 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以56%的产率得到5-(5-nitro-1H-pyrazol-3-yl)-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
  参考文献：
  名称：

  WO2008/141731

  摘要：

  公开号：

文献信息

• HETEROAROMATIC COMPOUNDS FOR USE AS HIF INHIBITORS
  申请人：Härter Michael

  公开号：US20110301122A1

  公开（公告）日：2011-12-08

  The present application relates to novel substituted aryl compounds, processes for their preparation, their use for treatment and/or prevention of diseases and their use for the preparation of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of hyperproliferative and angiogenic diseases and those diseases which arise from metabolic adaptation to hypoxic states. Such treatments can be carried out as monotherapy or also in combination with other medicaments or further therapeutic measures.

  本申请涉及新型取代芳基化合物，其制备方法，它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防过度增殖和血管生成性疾病以及那些由于代谢适应缺氧状态而引起的疾病。这种治疗可以作为单独治疗进行，也可以与其他药物或进一步的治疗措施结合使用。
• Aryl compounds with aminoalkyl substituents and their use
  申请人：Härter Michael

  公开号：US20110312930A1

  公开（公告）日：2011-12-22

  The present application relates to novel aryl compounds with aminoalkyl substituents, to processes for their preparation, to their use for treatment and/or prevention of diseases and to their use for the preparation of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of hyperproliferative and angiogenic diseases and those diseases which arise from metabolic adaptation to hypoxic states. Such treatments can be carried out as monotherapy or also in combination with other medicaments or further therapeutic measures.

  本申请涉及具有氨基烷基取代基的新型芳基化合物，涉及其制备方法，涉及它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防过度增殖和血管生成性疾病以及那些由于代谢适应低氧状态而引起的疾病。这种治疗可以作为单独治疗进行，也可以与其他药物或进一步的治疗措施结合使用。
• HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS
  申请人：Härter Michael

  公开号：US20130196964A1

  公开（公告）日：2013-08-01

  The present application relates to novel aryl compounds with heterocyclic substituents, processes for their preparation, their use for treatment and/or prevention of diseases and their use for the preparation of medicaments for treatment and/or prevention of diseases, in particular for treatment and/or prevention of hyperproliferative and angiogenic diseases and those diseases which arise from metabolic adaptation to hypoxic states. Such treatments can be carried out as monotherapy or also in combination with other medicaments or further therapeutic measures.

  本申请涉及具有杂环取代基的新型芳基化合物，其制备方法，它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防过度增殖和血管生成性疾病以及那些由于代谢适应缺氧状态而引起的疾病。这种治疗可以作为单独治疗进行，也可以与其他药物或进一步治疗措施结合使用。
• HETEROARYL SUBSTITUTED PYRAZOLE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS
  申请人：Boyer Stephen

  公开号：US20100249085A1

  公开（公告）日：2010-09-30

  This invention relates to novel heteroaryl substituted pyrazole compounds, pharmaceutical compositions containing such compounds and the use of those compounds or compositions for treating hyper-proliferative and/or angiogenesis disorders, as a sole agent or in combination with other active ingredients or therapeutic measures.

  本发明涉及新型杂环取代吡唑化合物、含有这些化合物的药物组合物以及用于治疗过度增殖和/或血管生成障碍的这些化合物或组合物的用途，作为单一药物或与其他活性成分或治疗措施联合使用。
• INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP2148877A2

  公开（公告）日：2010-02-03