4-[4-(2-naphthyl)pyrimidin-2-yl]-1,4-diazepane-1-carbaldehyde | 1123229-13-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-[4-(2-naphthyl)pyrimidin-2-yl]-1,4-diazepane-1-carbaldehyde
• 英文别名: 4-(4-Naphthalen-2-yl-pyrimidin-2-yl)-[1,4]diazepane-1-carbaldehyde；4-(4-naphthalen-2-ylpyrimidin-2-yl)-1,4-diazepane-1-carbaldehyde
• CAS: 1123229-13-9
• 化学式: C₂₀H₂₀N₄O
• 分子量: 332.405
• InChiKey: UGKHKSXZGLXJDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  49.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(Naphthalen-2-yl)pyrimidine-2-carbaldehyde 、 1-甲酰高哌嗪 、 三乙酰氧基硼氢化钠 以 二氯甲烷 为溶剂， 反应 48.0h， 以to yield the title product (10 mg (40%), 0.03 mmol)的产率得到4-[4-(2-naphthyl)pyrimidin-2-yl]-1,4-diazepane-1-carbaldehyde
  参考文献：
  名称：

  NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM

  摘要：

  本发明涉及萘基嘧啶类似物、制备萘基嘧啶类似物的方法、包含萘基嘧啶类似物的组合物，以及治疗经典Wnt-β-catenin细胞信息传递系统相关疾病的方法，包括向需要治疗的受体中施用有效量的萘基嘧啶、萘基吡嗪和萘基吡啶类似物。

  公开号：

  US20090054392A1

文献信息

• [EN] NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM<br/>[FR] ANALOGUES DE NAPHTYLPYRIMIDINE, NAPHTYLPYRAZINE ET NAPHTYLPYRIDAZINE ET LEUR UTILISATION COMME AGONISTES DU SYSTÈME DE COMMUNICATION CELLULAIRE WNT-BÊTA-CATÉNINE
  申请人：WYETH CORP

  公开号：WO2009026319A1

  公开（公告）日：2009-02-26

  The present invention relates to naphthylpyrimidine analogs, methods of making naphthylpyrimidine analogs, compositions comprising a naphthylpyrimidine analog, and methods for treating canonical Wnt-[beta-symbol]-catenin cellular messaging system-related disorders comprising administering to a subject in need thereof an effective amount of a naphthylpyrimidine, naphthylpyrazine and naphthylpyridazine analog.
• [EN] NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM<br/>[FR] ANALOGUES DE LA NAPHTHYLPYRIMIDINE, DE LA NAPHTHYLPYRAZINE ET DE LA NAPHTHYLPYRIDAZINE ET LEUR UTILISATION EN TANT QU'AGONISTES DU SYSTÈME DE MESSAGERIE CELLULAIRE WNT-BÊTA-CATÉNINE
  申请人：WYETH CORP

  公开号：WO2009026326A1

  公开（公告）日：2009-02-26

  The present invention relates to naphthylpyrimidine analogs, methods of making naphthylpyrimidine analogs, compositions comprising a naphthylpyrimidine analog, and methods for treating canonical Wnt-[beta-symbol]-catenin cellular messaging system-related disorders comprising administering to a subject in need thereof an effective amount of a naphthylpyrimidine, naphthylpyrazine and naphthylpyridazine analog.