1-(3-氯苯基)吡唑-4-硼酸 | 1072945-88-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(3-氯苯基)吡唑-4-硼酸
• 英文名称: 1-(3-chlorophenyl)pyrazole-4-boronic acid
• 英文别名: 1-(3-chlorophenyl)-1H-pyrazol-4-ylboronic acid；[1-(3-chlorophenyl)pyrazol-4-yl]boronic acid
• CAS: 1072945-88-0
• 化学式: C₉H₈BClN₂O₂
• 分子量: 222.439
• InChiKey: QQIIJLJSZUIAKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.21
• 重原子数：
  15
• 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：
  58.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340+P312,P332+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H335

反应信息

• 作为反应物：
  描述：

  1-(3-氯苯基)吡唑-4-硼酸 在 四(三苯基膦)钯 、 potassium carbonate 、 三氟乙酸 作用下， 以 水 、 乙腈 为溶剂， 反应 2.5h， 生成 2-((5-(1-(3-chlorophenyl)-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid
  参考文献：
  名称：

  [EN] SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES
  [FR] PETITES MOLÉCULES INHIBITRICES DE POLYPEPTIDES DE KINASES DES RÉCEPTEURS COUPLÉS AUX PROTÉINES G DE TYPE 6

  摘要：

  公开号：

  WO2015164411A9

文献信息

• 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS
  申请人：Narquizian Robert

  公开号：US20120253035A1

  公开（公告）日：2012-10-04

  The present invention relates to 1,4 Oxazepines of formula I having BACE1 and/or BACE2 inhibitory activity, their manufacture, pharmaceutical compositions containing them and their use as therapeutically active substances. The active compounds of the present invention are useful in the therapeutic and/or prophylactic treatment of e.g. Alzheimer's disease and type 2 diabetes.

  本发明涉及具有BACE1和/或BACE2抑制活性的1,4噁唑啉的化学式I，其制备、含有它们的药物组合物以及它们作为治疗活性物质的用途。本发明的活性化合物在治疗和/或预防治疗阿尔茨海默病和2型糖尿病等疾病中具有用途。
• [EN] 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS<br/>[FR] 1,4-OXAZÉPINES EN TANT QU'INHIBITEURS DE BACE1 ET/OU BACE2
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012136603A1

  公开（公告）日：2012-10-11

  The present invention relates to 1,4 Oxazepines of formula (I) having BACE1 and/or BACE2 inhibitory activity, their manufacture, pharmaceutical compositions containing them and their use as therapeutically active substances. The active compounds of the present invention are useful in the therapeutic and/or prophylactic treatment of e.g. Alzheimer's disease and type 2 diabetes.

  本发明涉及具有BACE1和/或BACE2抑制活性的式(I)的1,4噁唑环化合物，其制备、含有它们的药物组合物以及它们作为治疗活性物质的用途。本发明的活性化合物在治疗和/或预防治疗阿尔茨海默病和2型糖尿病等疾病方面具有用途。
• Bicyclic Aryl and Heteroaryl Sodium Channel Inhibitors
  申请人：Amgen Inc.

  公开号：US20130150339A1

  公开（公告）日：2013-06-13

  The present invention provides compounds of Formula I, or pharmaceutically acceptable salts thereof, that are inhibitors of voltage-gated sodium channels, in particular Nav 1.7. The compounds are useful for the treatment of diseases treatable by inhibition of sodium channels such as pain disorders. Also provided are pharmaceutical compositions containing compounds of the present invention.

  本发明提供了式I的化合物或其药学上可接受的盐，它们是电压门控钠通道抑制剂，特别是Nav 1.7的抑制剂。这些化合物用于治疗可通过钠通道抑制治疗的疾病，如疼痛性疾病。同时提供了含有本发明化合物的药物组合物。
• 1,4-Oxazepines as BACE1 and/or BACE2 inhibitors
  申请人：Narquizian Robert

  公开号：US08877744B2

  公开（公告）日：2014-11-04

  The present invention relates to 1,4 Oxazepines of formula I having BACE1 and/or BACE2 inhibitory activity, their manufacture, pharmaceutical compositions containing them and their use as therapeutically active substances. The active compounds of the present invention are useful in the therapeutic and/or prophylactic treatment of e.g. Alzheimer's disease and type 2 diabetes.

  本发明涉及具有BACE1和/或BACE2抑制活性的1,4-噁唑烷类化合物，其制备方法，含有它们的药物组合物以及它们作为治疗活性物质的用途。本发明的活性化合物在治疗和/或预防阿尔茨海默病和2型糖尿病等方面具有用途。
• Bicyclic aryl and heteroaryl sodium channel inhibitors
  申请人：Amgen Inc.

  公开号：US09012443B2

  公开（公告）日：2015-04-21

  The present invention provides compounds of Formula I, or pharmaceutically acceptable salts thereof, that are inhibitors of voltage-gated sodium channels, in particular Nav 1.7. The compounds are useful for the treatment of diseases treatable by inhibition of sodium channels such as pain disorders. Also provided are pharmaceutical compositions containing compounds of the present invention.

  本发明提供了公式I的化合物或其药学上可接受的盐，它们是电压门控钠通道抑制剂，特别是Nav 1.7的抑制剂。这些化合物对于治疗可通过钠通道抑制治疗的疾病，如疼痛障碍，是有用的。还提供了含有本发明化合物的制药组合物。