5-[4-(4, 4, 5, 5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxymethyl]-pyridine-2-carbonitrile | 1206101-28-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-[4-(4, 4, 5, 5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxymethyl]-pyridine-2-carbonitrile
• 英文别名: 5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxymethyl]-pyridine-2-carbonitrile；5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]pyridine-2-carbonitrile
• CAS: 1206101-28-1
• 化学式: C₁₉H₂₁BN₂O₃
• 分子量: 336.198
• InChiKey: OQDLNQVZWBHIFC-UHFFFAOYSA-N

物化性质

• 沸点：
  512.5±50.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.83
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  64.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  GLPG-0634 中间体 、 5-[4-(4, 4, 5, 5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxymethyl]-pyridine-2-carbonitrile 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 生成 GLPG₀₆₃₄
  参考文献：
  名称：

  NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES

  摘要：

  揭示了一种具有以下公式表示的[1,2,4]三唑并[1,5-a]吡啶化合物：此化合物可制备为药物组合物，并可用于哺乳动物，包括人类的预防和治疗，例如涉及软骨降解，骨骼和/或关节退化的疾病，例如骨关节炎；以及涉及炎症或免疫反应的情况，例如克罗恩病，类风湿性关节炎，牛皮癣，过敏性气道疾病（例如哮喘，鼻炎），青少年特发性关节炎，结肠炎，炎性肠病，内毒素驱动的疾病状态（例如旁路手术后的并发症或长期内毒素状态导致的慢性心力衰竭等），涉及软骨周转受损的疾病（例如涉及软骨细胞的合成刺激的疾病），先天性软骨畸形，与IL6过度分泌和移植排斥（例如器官移植排斥）和增殖性疾病有关的疾病。

  公开号：

  US20100029709A1
• 作为产物：
  描述：

  5-(氯甲基)-2-吡啶甲腈 、 4-羟基苯硼酸频哪醇酯 在 caesium carbonate 作用下， 以 丙酮 为溶剂， 生成 5-[4-(4, 4, 5, 5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxymethyl]-pyridine-2-carbonitrile
  参考文献：
  名称：

  NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES

  摘要：

  揭示了一种具有以下公式表示的[1,2,4]三唑并[1,5-a]吡啶化合物：此化合物可制备为药物组合物，并可用于哺乳动物，包括人类的预防和治疗，例如涉及软骨降解，骨骼和/或关节退化的疾病，例如骨关节炎；以及涉及炎症或免疫反应的情况，例如克罗恩病，类风湿性关节炎，牛皮癣，过敏性气道疾病（例如哮喘，鼻炎），青少年特发性关节炎，结肠炎，炎性肠病，内毒素驱动的疾病状态（例如旁路手术后的并发症或长期内毒素状态导致的慢性心力衰竭等），涉及软骨周转受损的疾病（例如涉及软骨细胞的合成刺激的疾病），先天性软骨畸形，与IL6过度分泌和移植排斥（例如器官移植排斥）和增殖性疾病有关的疾病。

  公开号：

  US20100029709A1

文献信息

• TRIAZOLOPYRIDINE KINASE INHIBITORS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES
  申请人：MENET Christel Jeanne Marie

  公开号：US20120309784A1

  公开（公告）日：2012-12-06

  A novel [1,2,4]triazolo[1,5-a]pyridine compound is disclosed that has a formula represented by the following: This compound may be prepared as a pharmaceutical composition, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, diseases involving cartilage degradation, bone and/or joint degradation, for example osteoarthritis; and/or conditions involving inflammation or immune responses, such as Crohn's disease, rheumatoid arthritis, psoriasis, allergic airways disease (e.g. asthma, rhinitis), juvenile idiopathic arthritis, colitis, inflammatory bowel diseases, endotoxin-driven disease states (e.g. complications after bypass surgery or chronic endotoxin states contributing to e.g. chronic cardiac failure), diseases involving impairment of cartilage turnover (e.g. diseases involving the anabolic stimulation of chondrocytes), congenital cartilage malformations, diseases associated with hypersecretion of IL6 and transplantation rejection (e.g. organ transplant rejection) and proliferative diseases.

  本发明揭示了一种具有以下公式表示的新型[1,2,4]三唑并[1,5-a]吡啶化合物： 此化合物可以制备为一种药物组成物，并可用于哺乳动物包括人类的预防和治疗多种疾病，包括但不限于涉及软骨降解、骨骼和/或关节降解的疾病，例如骨关节炎；以及涉及炎症或免疫反应的疾病，例如克罗恩病、类风湿性关节炎、银屑病、过敏性呼吸道疾病（例如哮喘、鼻炎）、儿童特发性关节炎、结肠炎、炎症性肠病、内毒素驱动的疾病状态（例如旁路手术后的并发症或慢性内毒素状态导致的慢性心力衰竭等），涉及软骨周转受损的疾病（例如涉及软骨细胞的合成刺激的疾病）、先天性软骨畸形、与IL6过度分泌和移植排斥（例如器官移植排斥）及增生性疾病有关的疾病。
• Triazolopyridine kinase inhibitors useful for the treatment of degenerative and inflammatory diseases
  申请人：Galapagos NV

  公开号：US08242274B2

  公开（公告）日：2012-08-14

  A novel [1,2,4]triazolo[1,5-a]pyridine compound is disclosed that has a formula represented by the following: This compound may be prepared as a pharmaceutical composition, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, diseases involving cartilage degradation, bone and/or joint degradation, for example osteoarthritis; and/or conditions involving inflammation or immune responses, such as Crohn's disease, rheumatoid arthritis, psoriasis, allergic airways disease (e.g. asthma, rhinitis), juvenile idiopathic arthritis, colitis, inflammatory bowel diseases, endotoxin-driven disease states (e.g. complications after bypass surgery or chronic endotoxin states contributing to e.g. chronic cardiac failure), diseases involving impairment of cartilage turnover (e.g. diseases involving the anabolic stimulation of chondrocytes), congenital cartilage malformations, diseases associated with hypersecretion of IL6 and transplantation rejection (e.g. organ transplant rejection) and proliferative diseases.

  披露一种具有以下公式表示的[1,2,4]三唑并[1,5-a]吡啶化合物的新颖化合物： 此化合物可制备为药物组合物，并可用于哺乳动物，包括人类，的预防和治疗多种疾病，例如涉及软骨降解、骨骼和/或关节降解的疾病，例如骨关节炎；以及涉及炎症或免疫反应的疾病，如克罗恩病、类风湿性关节炎、牛皮癣、过敏性气道疾病（例如哮喘、鼻炎）、少年特发性关节炎、结肠炎、炎症性肠病、内毒素驱动的疾病状态（例如旁路手术后的并发症或慢性内毒素状态导致慢性心力衰竭等）、涉及软骨周转障碍的疾病（例如涉及软骨细胞的合成刺激的疾病）、先天性软骨畸形、与IL6过度分泌和移植排斥病（例如器官移植排斥）以及增殖性疾病相关的疾病。
• Compounds useful for the treatment of degenerative and inflammatory diseases
  申请人：Menet Christel Jeanne Marie

  公开号：US08853240B2

  公开（公告）日：2014-10-07

  [1,2,4]triazolo[1,5-a]pyridine compounds are disclosed that have a formula represented by the following: The compounds may be prepared as pharmaceutical compositions, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, diseases involving cartilage degradation, bone and/or joint degradation, for example osteoarthritis; and/or conditions involving inflammation or immune responses, such as Crohn's disease, rheumatoid arthritis, psoriasis, allergic airways disease (e.g. asthma, rhinitis), juvenile idiopathic arthritis, colitis, inflammatory bowel diseases, endotoxin-driven disease states (e.g. complications after bypass surgery or chronic endotoxin states contributing to e.g. chronic cardiac failure), diseases involving impairment of cartilage turnover (e.g. diseases involving the anabolic stimulation of chondrocytes), congenital cartilage malformations, diseases associated with hypersecretion of IL6 and transplantation rejection (e.g. organ transplant rejection) and proliferative diseases.

  本文披露了一种公式如下的[1,2,4]三唑并[1,5-a]吡啶化合物：这些化合物可制备为药物组合物，并可用于预防和治疗哺乳动物包括人类的各种疾病，包括但不限于涉及软骨降解、骨骼和/或关节退化的疾病，例如骨关节炎；以及涉及炎症或免疫反应的疾病，例如克罗恩病、类风湿性关节炎、牛皮癣、过敏性呼吸道疾病（例如哮喘、鼻炎）、少年特发性关节炎、结肠炎、炎性肠病、内毒素驱动的疾病状态（例如旁路手术后的并发症或慢性内毒素状态导致的慢性心力衰竭等），涉及软骨周转障碍的疾病（例如涉及软骨细胞的合成刺激的疾病）、先天性软骨畸形、与IL6高分泌相关的疾病和移植排斥（例如器官移植排斥）以及增生性疾病。
• NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES
  申请人：Menet Christel Jeanne Marie

  公开号：US20100029709A1

  公开（公告）日：2010-02-04

  A novel [1,2,4]triazolo[1,5-a]pyridine compound is disclosed that has a formula represented by the following: This compound may be prepared as a pharmaceutical composition, and may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, diseases involving cartilage degradation, bone and/or joint degradation, for example osteoarthritis; and/or conditions involving inflammation or immune responses, such as Crohn's disease, rheumatoid arthritis, psoriasis, allergic airways disease (e.g. asthma, rhinitis), juvenile idiopathic arthritis, colitis, inflammatory bowel diseases, endotoxin-driven disease states (e.g. complications after bypass surgery or chronic endotoxin states contributing to e.g. chronic cardiac failure), diseases involving impairment of cartilage turnover (e.g. diseases involving the anabolic stimulation of chondrocytes), congenital cartilage malformations, diseases associated with hypersecretion of IL6 and transplantation rejection (e.g. organ transplant rejection) and proliferative diseases.

  揭示了一种具有以下公式表示的[1,2,4]三唑并[1,5-a]吡啶化合物：此化合物可制备为药物组合物，并可用于哺乳动物，包括人类的预防和治疗，例如涉及软骨降解，骨骼和/或关节退化的疾病，例如骨关节炎；以及涉及炎症或免疫反应的情况，例如克罗恩病，类风湿性关节炎，牛皮癣，过敏性气道疾病（例如哮喘，鼻炎），青少年特发性关节炎，结肠炎，炎性肠病，内毒素驱动的疾病状态（例如旁路手术后的并发症或长期内毒素状态导致的慢性心力衰竭等），涉及软骨周转受损的疾病（例如涉及软骨细胞的合成刺激的疾病），先天性软骨畸形，与IL6过度分泌和移植排斥（例如器官移植排斥）和增殖性疾病有关的疾病。