4-氟-3-(4-氟苯甲酰基)苯腈 | 395100-11-5

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯腈系列
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氟-3-(4-氟苯甲酰基)苯腈
• 英文名称: 4-fluoro-3-(4-fluorobenzoyl)benzonitrile
• 英文别名: 4-Fluoro-3-[(4-fluorophenyl)carbonyl]benzenecarbonitrile；4-Fluoro-3-{(4-Fluorophenyl)Carbonyl]Benzenecarbonitrile；4-fluoro-3-{(4-fluorophenyl)carbonyl}benzenecarbonitrile
• CAS: 395100-11-5
• 化学式: C₁₄H₇F₂NO
• 分子量: 243.212
• InChiKey: DUKGPJAGZRDKST-UHFFFAOYSA-N

物化性质

• 沸点：
  404.4±45.0 °C(Predicted)
• 密度：
  1.32

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-氟-3-(4-氟苯甲酰基)苯腈 在 一水合肼 、 肼 作用下， 以 水 为溶剂， 生成 3-(4-氟苯基)-1H-吲唑-5-甲腈
  参考文献：
  名称：

  Indazole compounds, compositions thereof and methods of treatment therewith

  摘要：

  这项发明通常涉及使用吲唑化合物来治疗或预防与蛋白激酶相关的疾病，包括酪氨酸激酶，诸如增殖性疾病、炎症性疾病、异常血管生成及其相关疾病、动脉硬化、黄斑变性、糖尿病、肥胖、疼痛等。这些方法包括向有需要的患者施用有效量的吲唑化合物，以抑制、调节或控制酪氨酸激酶信号转导。本文中提供了一种新型的吲唑化合物或其药用可接受的盐。

  公开号：

  US20050009876A1
• 作为产物：
  描述：

  对氟苯腈 在 白碳黑 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 、 正庚烷 、 乙基苯 、 水 、 乙酸乙酯 为溶剂， 以50%的产率得到4-氟-3-(4-氟苯甲酰基)苯腈
  参考文献：
  名称：

  Indazole compounds, compositions thereof and methods of treatment therewith

  摘要：

  这项发明通常涉及使用吲唑化合物来治疗或预防与蛋白激酶相关的疾病，包括酪氨酸激酶，诸如增殖性疾病、炎症性疾病、异常血管生成及其相关疾病、动脉硬化、黄斑变性、糖尿病、肥胖、疼痛等。这些方法包括向有需要的患者施用有效量的吲唑化合物，以抑制、调节或控制酪氨酸激酶信号转导。本文中提供了一种新型的吲唑化合物或其药用可接受的盐。

  公开号：

  US20050009876A1

文献信息

• Methods for treating an inflammatory condition or inhibiting JNK
  申请人：——

  公开号：US20040127536A1

  公开（公告）日：2004-07-01

  This invention is generally directed to Indazole Derivatives having the following structure: 1 or pharmaceutically acceptable salt thereof, wherein R 1 , R 2 and A are as defined herein. Such compounds have utility in the treatment of a wide range of diseases and disorders that are responsive to JNK inhibition, such as an inflammatory disease or disorder. Thus, methods of treating such diseases and disorders are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  这项发明通常涉及吲唑衍生物，具有以下结构： 1 或药用可接受的盐，其中R 1 ，R 2 和A如本文所述定义。这类化合物在治疗对JNK抑制剂有响应的广泛疾病和障碍，如炎症性疾病或障碍中具有用途。因此，还披露了治疗这些疾病和障碍的方法，以及包含一个或多个上述化合物的药物组合物。
• Indazole derivatives as JNK inhibitors and compositions and methods related thereto
  申请人：——

  公开号：US20020103229A1

  公开（公告）日：2002-08-01

  Compounds having activity as selective inhibitors of JNK are disclosed. The compounds of this invention are indazole derivatives having the following structure: 1 wherein R 1 , R 2 and A are as defined herein. Such compounds have utility in the treatment of a wide range of conditions that are responsive to JNK inhibition. Thus, methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  本发明公开了作为JNK选择性抑制剂的化合物。本发明的化合物是吲唑衍生物，具有以下结构： 1 其中R 1 ，R 2 和A如本文所述定义。此类化合物在治疗对JNK抑制产生响应的广泛病症方面具有用途。因此，还公开了治疗此类病症的方法，以及包含一个或多个上述化合物的药物组合物。
• Indazole compounds and methods of use thereof
  申请人：Bhagwat S. Shripad

  公开号：US20060004043A1

  公开（公告）日：2006-01-05

  This invention is directed to Indazole Compounds or pharmaceutically acceptable salts, solvates and hydrates thereof. The Indazole Compounds have utility in the treatment or prevention of a wide range of diseases and disorders that are responsive to the inhibition, modulation or regulation of kinases, such as inflammatory diseases, abnormal angiogenesis and diseases related thereto, cancer, atherosclerosis, a cardiovascular disease, a renal disease, an autoimmune condition, macular degeneration, disease-related wasting, an asbestos-related condition, pulmonary hypertension, diabetes, obesity, pain and others. Thus, methods of treating or preventing such diseases and disorders are also disclosed, as are pharmaceutical compositions comprising one or more of the Indazole Compounds. This invention is based, in part, upon the discovery of a novel class of 5-triazolyl substituted indazole molecules that have potent activity with respect to the modulation of protein kinases. Thus, the invention encompasses orally active molecules as well as parenterally active molecules which can be used at lower doses or serum concentrations for treating diseses or disorders associated with protein kinase signal transduction.

  本发明涉及吲唑化合物或其药学上可接受的盐、溶剂合物和水合物。这些吲唑化合物在治疗或预防广泛的疾病和紊乱方面具有实用性，这些疾病和紊乱对激酶的抑制、调节或调控具有反应性，例如炎症性疾病、异常血管生成及相关疾病、癌症、动脉硬化、心血管疾病、肾脏疾病、自身免疫疾病、黄斑变性、与疾病有关的消耗、石棉相关疾病、肺动脉高压、糖尿病、肥胖症、疼痛和其他疾病。因此，本发明还揭示了治疗或预防此类疾病和紊乱的方法，以及包含一种或多种吲唑化合物的药物组成物。本发明部分基于发现一类新型的5-三唑基取代吲唑分子，它们在蛋白激酶调节方面具有强效活性。因此，本发明包括口服活性分子以及可用于治疗与蛋白激酶信号转导相关的疾病或紊乱的肠外活性分子，其剂量或血清浓度较低。
• INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Bhagwat Shripad S.

  公开号：US20090099178A1

  公开（公告）日：2009-04-16

  This invention is directed to Indazole Compounds or pharmaceutically acceptable salts, solvates and hydrates thereof. The Indazole Compounds have utility in the treatment or prevention of a wide range of diseases and disorders that are responsive to the inhibition, modulation or regulation of kinases, such as inflammatory diseases, abnormal angiogenesis and diseases related thereto, cancer, atherosclerosis, a cardiovascular disease, a renal disease, an autoimmune condition, macular degeneration, disease-related wasting, an asbestos-related condition, pulmonary hypertension, diabetes, obesity, pain and others. Thus, methods of treating or preventing such diseases and disorders are also disclosed, as are pharmaceutical compositions comprising one or more of the Indazole Compounds. This invention is based, in part, upon the discovery of a novel class of 5-triazolyl substituted indazole molecules that have potent activity with respect to the modulation of protein kinases. Thus, the invention encompasses orally active molecules as well as parenterally active molecules which can be used at lower doses or serum concentrations for treating diseases or disorders associated with protein kinase signal transduction.

  本发明涉及吲唑化合物或其药学上可接受的盐、溶剂合物和水合物。这些吲唑化合物在治疗或预防许多对激酶的抑制、调节或调控具有反应性的疾病和障碍方面具有用途，例如炎症性疾病、异常血管生成及相关疾病、癌症、动脉粥样硬化、心血管疾病、肾脏疾病、自身免疫疾病、黄斑变性、与疾病相关的消耗、石棉相关疾病、肺动脉高压、糖尿病、肥胖症、疼痛等。因此，本发明还揭示了治疗或预防这些疾病和障碍的方法，以及包含一种或多种吲唑化合物的制药组合物。本发明部分基于发现一类新型的5-三唑基取代吲唑分子，这些分子在调节蛋白激酶方面具有强效活性。因此，本发明包括口服活性分子和经肠道给药的活性分子，可用于治疗与蛋白激酶信号转导相关的疾病或障碍，且可用较低剂量或血清浓度。
• Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith
  申请人：Signal Pharmaceuticals, LLC

  公开号：US07208513B2

  公开（公告）日：2007-04-24

  Compounds having activity as selective inhibitors of JNK are disclosed. The compounds of this invention are indazole derivatives having the following structure: wherein R1, R2 and A are as defined herein. Such compounds have utility in the treatment of a wide range of conditions that are responsive to JNK inhibition. Thus, methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more compounds of the above compounds.

  本发明揭示了具有选择性抑制JNK活性的化合物。本发明的化合物是具有以下结构的吲唑衍生物：其中R1、R2和A的定义如本文所述。这些化合物在治疗对JNK抑制有反应的广泛疾病方面具有用途。因此，本发明还揭示了治疗这些疾病的方法，以及包含上述化合物中的一个或多个化合物的制药组合物。