5-(4-Carbamoylmethyl-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-N-(1-hydroxy-cycloheptylmethyl)-2-methyl-benzamide | 724423-86-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 5-(4-Carbamoylmethyl-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-N-(1-hydroxy-cycloheptylmethyl)-2-methyl-benzamide
• 英文别名: 5-[4-(2-amino-2-oxoethyl)-3,5-dioxo-1,2,4-triazin-2-yl]-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
• CAS: 724423-86-3
• 化学式: C₂₁H₂₇N₅O₅
• 分子量: 429.476
• InChiKey: QIQXNUHPEGATGO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  145
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-溴乙酰胺 在 caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 14.25h， 生成 5-(4-Carbamoylmethyl-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-N-(1-hydroxy-cycloheptylmethyl)-2-methyl-benzamide
  参考文献：
  名称：

  [EN] 3-(3,5-DIOXO-4,5-DIHYDRO-3H-(1,2,4)TRIAZIN-2-YL)-BENZAMIDE DERIVATIVES AS P2X7-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES
  [FR] DERIVES DE 3-(3,5-DIOXO-4,5-DIHYDRO-3H-(1,2,4)TRIAZIN-2-YL)-BENZAMIDE UTILISES COMME INHIBITEURS DE P2X7 POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES

  摘要：

  本发明提供了式(I)的P2X7受体的苯甲酰胺抑制剂，其中R1和R2如权利要求1所定义。R3是式(II)的氮连接(C1-C10)杂环基，其中R4和R7如权利要求1所定义。本发明的化合物在治疗IL-1介导的疾病方面是有用的，包括但不限于炎症性疾病如骨关节炎和类风湿性关节炎；过敏、哮喘、慢性阻塞性肺疾病、癌症、再灌注或缺血性中风或心脏病、自身免疫性疾病和其他疾病。

  公开号：

  WO2004058270A1

文献信息

• Combination therapies utilizing benzamide inhibitors of the P2X7 receptor
  申请人：Chung B. James

  公开号：US20060018904A1

  公开（公告）日：2006-01-26

  This invention provides methods of treatment of IL-1 mediated diseases comprising administering a pharmaceutically effective amount of a pharmaceutical agent selected from the group of sulfasalazine, a statin, a glucocorticoid agent, an inhibitor of p38 kinase, an anti-IL-6-receptor antibody, anakinra, an IL-1 monoclonal antibody, an inhibitor of JAK3 protein tyrosine kinase, a M-CSF monoclonal antibody or a humanized anti-CD20 monoclonal antibody and a benzamide inhibitor of the P2X 7 receptor of the formula: wherein R 1 -R 3 are as defined herein. The methods of the invention are useful in the treatment of IL-1 mediated disorders, including, without limitation, inflammatory diseases such as osteoarthritis and rheumatoid arthritis; allergies, asthma, COPD, cancer, reperfusion or ischemia in stroke or heart attack, autoimmune diseases and other disorders.

  本发明提供了治疗IL-1介导疾病的方法，包括给予从磺胺嘧啶、他汀、糖皮质激素、p38激酶抑制剂、抗IL-6受体抗体、阿那西单抗、IL-1单克隆抗体、JAK3蛋白酪氨酸激酶抑制剂、M-CSF单克隆抗体或人源化的抗CD20单克隆抗体和P2X7受体苯甲酰胺抑制剂中选择的药物剂量。本发明的方法对于治疗IL-1介导的疾病非常有用，包括但不限于炎症性疾病如骨关节炎和类风湿性关节炎；过敏、哮喘、COPD、癌症、中风或心脏病的再灌注或缺血、自身免疫性疾病和其他疾病。
• Benzamide inhibitors of the P2X, receptor
  申请人：Dombroski A. Mark

  公开号：US20060040939A1

  公开（公告）日：2006-02-23

  The present invention provides benzamide inhibitors of the P2X 7 receptor of the formula: wherein R 1 -R 3 are as defined herein. The compounds of the invention are useful in the treatment of IL-1 mediated disorders, including, without limitation, inflammatory diseases such as osteoarthritis and rheumatoid arthritis; allergies, asthma, COPD, cancer, reperfusion or ischemia in stroke or heart attack, autoimmune diseases and other disorders.

  本发明提供了P2X7受体的苯甲酰胺抑制剂，其化学式为：其中R1-R3的定义如本文所述。该发明的化合物在治疗IL-1介导的疾病方面有用，包括但不限于炎症性疾病，如骨关节炎和类风湿性关节炎；过敏、哮喘、慢性阻塞性肺疾病、癌症、脑卒中或心脏病的再灌注或缺血、自身免疫性疾病和其他疾病。
• Benzamide inhibitors of the P2X7 receptor
  申请人：Pfizer Inc.

  公开号：US20040180894A1

  公开（公告）日：2004-09-16

  The present invention provides benzamide inhibitors of the P2X 7 receptor of the formula: 1 wherein R 1 -R 3 are as defined herein. The compounds of the invention are useful in the treatment of IL-1 mediated disorders, including, without limitation, inflammatory diseases such as osteoarthritis and rheumatoid arthritis; allergies, asthma, COPD, cancer, reperfusion or ischemia in stroke or heart attack, autoimmune diseases and other disorders.

  本发明提供了P2X7受体的苯甲酰胺抑制剂，其化学式为：1，其中R1-R3如本文所定义。本发明的化合物可用于治疗IL-1介导的疾病，包括但不限于炎症性疾病，如骨关节炎和类风湿性关节炎；过敏、哮喘、慢性阻塞性肺疾病、癌症、脑卒中或心脏病发作中的再灌注或缺血、自身免疫性疾病和其他疾病。
• Benzamide Inhibitors of the P2X7 Receptor
  申请人：DOMBROSKI MARK A.

  公开号：US20090042886A1

  公开（公告）日：2009-02-12

  The present invention provides benzamide inhibitors of the P2X 7 receptor of the formula: wherein R 1 -R 3 are as defined herein. The compounds of the invention are useful in the treatment of IL-1 mediated disorders, including, without limitation, inflammatory diseases such as osteoarthritis and rheumatoid arthritis; allergies, asthma, COPD, cancer, reperfusion or ischemia in stroke or heart attack, autoimmune diseases and other disorders.

  本发明提供了P2X7受体的苯甲酰胺抑制剂，其化学式如下：其中R1-R3的定义如本文所述。该发明的化合物对于治疗IL-1介导的疾病有用，包括但不限于炎症性疾病，如骨关节炎和类风湿性关节炎；过敏、哮喘、慢性阻塞性肺疾病、癌症、脑卒中或心脏病发作中的再灌注或缺血、自身免疫性疾病和其他疾病。
• Benzamide inhibitors of the P2X7 receptor
  申请人：Pfizer Inc.

  公开号：US07176202B2

  公开（公告）日：2007-02-13

  The present invention provides benzamide inhibitors of the P2X7 receptor of the formula: wherein R1–R3 are as defined herein. The compounds of the invention are useful in the treatment of IL-1 mediated disorders, including, without limitation, inflammatory diseases such as osteoarthritis and rheumatoid arthritis; allergies, asthma, COPD, cancer, reperfusion or ischemia in stroke or heart attack, autoimmune diseases and other disorders.

  本发明提供了P2X7受体的苯甲酰胺抑制剂，其化学式为：其中R1-R3如本文所定义。本发明的化合物在治疗IL-1介导的疾病方面非常有用，包括但不限于炎症性疾病，如骨关节炎和类风湿性关节炎；过敏，哮喘，COPD，癌症，脑卒中或心肌梗死中的再灌注或缺血，自身免疫性疾病和其他疾病。