AZD3342

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃类
• 英文名称: AZD3342
• 英文别名: APC-2059；(3aalpha,6aalpha)-3beta,6beta-Bis[4-(4-guanidinobenzylcarbamoyl)piperazinocarbonyloxy]hexahydrofuro[3,2-b]furan；[(3R,3aR,6R,6aR)-6-[4-[[4-(diaminomethylideneamino)phenyl]methylcarbamoyl]piperazine-1-carbonyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[[4-(diaminomethylideneamino)phenyl]methylcarbamoyl]piperazine-1-carboxylate
• 化学式: C₃₄H₄₆N₁₂O₈
• 分子量: 750.815
• InChiKey: SDKLWMXBZVGUHI-BIYDSLDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  54
• 可旋转键数：
  10
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  271
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 生成 AZD3342
  参考文献：
  名称：

  Dibasic inhibitors of human mast cell tryptase. Part 2: Structure–activity relationships and requirements for potent activity

  摘要：

  Detailed structure-activity relationships (SARs) for a series of dibasic human tryptase inhibitors are presented. The structural requirements for potent inhibitory activity are remarkably broad with a range of core template modifications being well tolerated. Optimized inhibitors demonstrate potent anti-asthmatic activity in a sheep model of allergic asthma. APC-2059, a dibasic tryptase inhibitor with subnanomolar activity, has been advanced to phase II clinical trials for the treatment of both psoriasis and ulcerative colitis. (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(00)00485-6

文献信息

• Compositions and methods for treating mast-cell mediated conditions
  申请人：AXYS Pharmaceuticals, Inc.

  公开号：US06022969A1

  公开（公告）日：2000-02-08

  Novel compounds, compositions and methods effective for the prevention and treatment of mast-cell mediated inflammatory disorders are described. The compounds, compositions and methods are effective for the prevention and treatment of inflammatory diseases associated with the respiratory tract, such as asthma and allergic rhinitis, as well as other types of immunomediated inflammatory disorders, such as rheumatoid arthritis, conjunctivitis and inflammatory bowel disease, various dermatological conditions, as well as certain viral conditions. The compounds comprise potent and selective inhibitors of the mast cell protease tryptase. The compositions for treating these conditions include oral, inhalant, topical and parenteral preparations as well as devices comprising such preparations.

  本发明描述了一种用于预防和治疗由肥大细胞介导的炎症性疾病的新型化合物、组合物和方法。这些化合物、组合物和方法对于预防和治疗与呼吸道相关的炎症性疾病，如哮喘和过敏性鼻炎，以及其他类型的免疫介导性炎症性疾病，如类风湿性关节炎、结膜炎和炎症性肠病、各种皮肤病以及某些病毒病具有有效性。这些化合物包括强效和选择性的肥大细胞蛋白酶酶抑制剂。用于治疗这些疾病的组合物包括口服、吸入、局部和静脉制剂，以及包含这些制剂的装置。
• Dibasic inhibitors of human mast cell tryptase. Part 2: Structure–activity relationships and requirements for potent activity
  作者：Kenneth D Rice、Vivian R Wang、Anthony R Gangloff、Elaine Y.-L Kuo、Jeffrey M Dener、William S Newcomb、Wendy B Young、Daun Putnam、Lynne Cregar、Martin Wong、Paul J Simpson

  DOI：10.1016/s0960-894x(00)00485-6

  日期：2000.10

  Detailed structure-activity relationships (SARs) for a series of dibasic human tryptase inhibitors are presented. The structural requirements for potent inhibitory activity are remarkably broad with a range of core template modifications being well tolerated. Optimized inhibitors demonstrate potent anti-asthmatic activity in a sheep model of allergic asthma. APC-2059, a dibasic tryptase inhibitor with subnanomolar activity, has been advanced to phase II clinical trials for the treatment of both psoriasis and ulcerative colitis. (C) 2000 Published by Elsevier Science Ltd.