N-[[4-(diaminomethylideneamino)phenyl]methyl]-4-[8-[4-[[4-(diaminomethylideneamino)phenyl]methylcarbamoyl]piperazin-1-yl]-8-oxooctanoyl]piperazine-1-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N-[[4-(diaminomethylideneamino)phenyl]methyl]-4-[8-[4-[[4-(diaminomethylideneamino)phenyl]methylcarbamoyl]piperazin-1-yl]-8-oxooctanoyl]piperazine-1-carboxamide
• 化学式: C₃₄H₅₀N₁₂O₄
• 分子量: 690.849
• InChiKey: NLJGWVWBVAVMER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  50
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  234
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 生成 N-[[4-(diaminomethylideneamino)phenyl]methyl]-4-[8-[4-[[4-(diaminomethylideneamino)phenyl]methylcarbamoyl]piperazin-1-yl]-8-oxooctanoyl]piperazine-1-carboxamide
  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

• NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY
  申请人：ARRIS PHARMACEUTICAL CORPORATION

  公开号：EP0934293A1

  公开（公告）日：1999-08-11
• [EN] NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH TRYPTASE ACTIVITY<br/>[FR] NOUVEAUX COMPOSES ET COMPOSITIONS SERVANT A TRAITER DES MALADIES ASSOCIEES A L'ACTIVITE DE TRYPTASE
  申请人：ARRIS PHARMACEUTICAL CORPORATION

  公开号：WO1998004537A1

  公开（公告）日：1998-02-05

  (EN) The present invention relates to novel compounds which are typtase inhibitors; the pharmaceutically acceptable salts and $i(N)-oxides thereof; their uses as therapeutic agents and the methods of their making.(FR) L'invention concerne de nouveaux composés qui sont des inhibiteurs de tryptase, leurs sels et N-oxydes acceptables sur le plan pharmaceutique, leurs utilisations en tant qu'agents thérapeutiques et leurs procédés de préparation.