4-(7-bromo-3-oxo-2H-isoquinolin-2-ylmethyl)benzoic acid tert-butyl ester | 662139-45-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 4-(7-bromo-3-oxo-2H-isoquinolin-2-ylmethyl)benzoic acid tert-butyl ester
• 英文别名: tert-butyl 4-[(7-bromo-3-oxoisoquinolin-2-yl)methyl]benzoate
• CAS: 662139-45-9
• 化学式: C₂₁H₂₀BrNO₃
• 分子量: 414.299
• InChiKey: YBSXKDFOJQEWSZ-UHFFFAOYSA-N

物化性质

• 沸点：
  585.2±50.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(7-bromo-3-oxo-2H-isoquinolin-2-ylmethyl)benzoic acid tert-butyl ester 、 3-苯-1-丙炔 在 四(三苯基膦)钯 copper(l) iodide 、 三乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 5.0h， 生成 4-[3-oxo-7-(3-phenyl-prop-1-ynyl)-2H-isoquinolin-2-ylmethyl]benzoic acid tert-butyl ester
  参考文献：
  名称：

  [EN] 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS
  [FR] DERIVES DE 3-ISOQUINOLINONE UTILISES COMME INHIBITEURS DE METALLOPROTEASE DE MATRICE

  摘要：

  本发明提供了由式(I)定义的化合物或其药学上可接受的盐，其中R1、Q、R2、R3、R4和n的定义如规范中所述。本发明还提供了包含式(I)化合物的制药组合物，并将式(I)化合物用作治疗由MMP-13酶介导的疾病的药物。

  公开号：

  WO2004014378A1
• 作为产物：
  描述：

  7-溴-3-羟基异喹啉 、 4-溴甲基苯甲酸叔丁酯 在 caesium carbonate 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 生成 4-(7-bromo-3-oxo-2H-isoquinolin-2-ylmethyl)benzoic acid tert-butyl ester
  参考文献：
  名称：

  [EN] 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS
  [FR] DERIVES DE 3-ISOQUINOLINONE UTILISES COMME INHIBITEURS DE METALLOPROTEASE DE MATRICE

  摘要：

  本发明提供了由式(I)定义的化合物或其药学上可接受的盐，其中R1、Q、R2、R3、R4和n的定义如规范中所述。本发明还提供了包含式(I)化合物的制药组合物，并将式(I)化合物用作治疗由MMP-13酶介导的疾病的药物。

  公开号：

  WO2004014378A1

文献信息

• 3-Isoquinolinone derivatives as matrix metalloproteinase inhibitors
  申请人：——

  公开号：US20040038959A1

  公开（公告）日：2004-02-26

  This invention provides compounds defined by Formula I 1 or a pharmaceutically acceptable salt thereof, wherein R 1 , Q, R 2 , R 3 , R 4 , and n are as defined in the specification. The invention also provides pharmaceutical compositions comprising a compound of Formula I, or a pharmaceutically acceptable salt thereof, as defined in the specification, together with a pharmaceutically acceptable carrier, diluent, or excipient. The invention also provides methods of inhibiting an MMP-13 enzyme in an animal, comprising administering to the animal a compound of Formula I, or a pharmaceutically acceptable salt thereof. The invention also provides methods of treating a disease mediated by an MMP-13 enzyme in a patient, comprising administering to the patient a compound of Formula I, or a pharmaceutically acceptable salt thereof, either alone or in a pharmaceutical composition. The invention also provides methods of treating diseases such as heart disease, multiple sclerosis, osteo- and rheumatoid arthritis, arthritis other than osteo- or rheumatoid arthritis, cardiac insufficiency, inflammatory bowel disease, heart failure, age-related macular degeneration, chronic obstructive pulmonary disease, asthma, periodontal diseases, psoriasis, atherosclerosis, and osteoporosis in a patient, comprising administering to the patient a compound of Formula I, or a pharmaceutically acceptable salt thereof, either alone or in a pharmaceutical composition. The invention also provides combinations, comprising a compound of Formula I, or a pharmaceutically acceptable salt thereof, together with another pharmaceutically active component as described in the specification.

  本发明提供了公式I1定义的化合物或其药学上可接受的盐，其中R1、Q、R2、R3、R4和n如规范中所定义。本发明还提供了药物组合物，包括公式I中的化合物或其药学上可接受的盐，以及药学上可接受的载体、稀释剂或赋形剂。本发明还提供了抑制动物中MMP-13酶的方法，包括向动物投与公式I的化合物或其药学上可接受的盐。本发明还提供了治疗由MMP-13酶介导的疾病的方法，包括向患者投与公式I的化合物或其药学上可接受的盐，单独使用或与药物组合物一起使用。本发明还提供了治疗心脏病、多发性硬化、骨关节炎和类风湿性关节炎、非骨关节炎或类风湿性关节炎的关节炎、心力衰竭、炎症性肠病、老年性黄斑变性、慢性阻塞性肺疾病、哮喘、牙周疾病、银屑病、动脉粥样硬化和骨质疏松症的方法，包括向患者投与公式I的化合物或其药学上可接受的盐，单独使用或与药物组合物一起使用。本发明还提供了组合物，包括公式I的化合物或其药学上可接受的盐，以及规范中所述的另一种药学活性成分。
• 3-isoquinolinone derivatives as matrix metalloproteinase inhibitors
  申请人：Bunker Amy Mae

  公开号：US06974822B2

  公开（公告）日：2005-12-13

  This invention provides compounds defined by Formula I: or a pharmaceutically acceptable salt thereof, wherein R 1 , Q, R 2 , R 3 , R 4 , and n are as defined in the specification. The invention also provides pharmaceutical compositions comprising a compound of Formula I, or a pharmaceutically acceptable salt thereof, as defined in the specification, together with a pharmaceutically acceptable carrier, diluent, or excipient. The invention also provides methods of inhibiting an MMP-13 enzyme in an animal, comprising administering to the animal a compound of Formula I, or a pharmaceutically acceptable salt thereof. The invention also provides methods of treating a disease mediated by an MMP-13 enzyme in a patient, comprising administering to the patient a compound of Formula I, or a pharmaceutically acceptable salt thereof, either alone or in a pharmaceutical composition. The invention also provides methods of treating diseases such as heart disease, multiple sclerosis, osteo- and rheumatoid arthritis, arthritis other than osteo- or rheumatoid arthritis, cardiac insufficiency, inflammatory bowel disease, heart failure, age-related macular degeneration, chronic obstructive pulmonary disease, asthma, periodontal diseases, psoriasis, atherosclerosis, and osteoporosis in a patient, comprising administering to the patient a compound of Formula I, or a pharmaceutically acceptable salt thereof, either alone or in a pharmaceutical composition. The invention also provides combinations, comprising a compound of Formula I, or a pharmaceutically acceptable salt thereof, together with another pharmaceutically active component as described in the specification.

  本发明提供了由公式I定义的化合物：或其药学上可接受的盐，其中R1、Q、R2、R3、R4和n如规范所定义。本发明还提供了制剂，其中包含由规范中定义的公式I的化合物或其药学上可接受的盐，以及药学上可接受的载体、稀释剂或赋形剂。本发明还提供了抑制动物中MMP-13酶的方法，包括向动物中给予公式I的化合物或其药学上可接受的盐。本发明还提供了治疗患有由MMP-13酶介导的疾病的患者的方法，包括向患者中给予公式I的化合物或其药学上可接受的盐，单独或在制剂中。本发明还提供了治疗心脏病、多发性硬化、骨关节炎和类风湿性关节炎、非骨关节炎或类风湿性关节炎的关节炎、心脏衰竭、炎症性肠病、年龄相关性黄斑变性、慢性阻塞性肺疾病、哮喘、牙周疾病、银屑病、动脉硬化和骨质疏松症的方法，包括向患者中给予公式I的化合物或其药学上可接受的盐，单独或在制剂中。本发明还提供了组合物，包括公式I的化合物或其药学上可接受的盐，以及规范中描述的另一种药物活性成分。
• US6974822B2
  申请人：——

  公开号：US6974822B2

  公开（公告）日：2005-12-13
• [EN] 3-ISOQUINOLINONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIITORS<br/>[FR] DERIVES DE 3-ISOQUINOLINONE UTILISES COMME INHIBITEURS DE METALLOPROTEASE DE MATRICE
  申请人：WARNER LAMBERT CO

  公开号：WO2004014378A1

  公开（公告）日：2004-02-19

  This invention provides compounds defined by Formula (I) or a pharmaceutically acceptable salt thereof, wherein R1, Q, R2, R3, R4, and n are as defined in the specification. The invention also provides pharmaceutical compositions comprising a compound of Formula (I) and the use of the compounds of Formula (I) as medicaments for treating diseases mediated by an MMP-13 enzyme.

  本发明提供了由式(I)定义的化合物或其药学上可接受的盐，其中R1、Q、R2、R3、R4和n的定义如规范中所述。本发明还提供了包含式(I)化合物的制药组合物，并将式(I)化合物用作治疗由MMP-13酶介导的疾病的药物。