5-[2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-benzofuran-4-ylmethyl]-pyrimidine-2,4-diamine | 394736-09-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 5-[2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-benzofuran-4-ylmethyl]-pyrimidine-2,4-diamine
• 英文别名: 5-[[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-1-benzofuran-4-yl]methyl]pyrimidine-2,4-diamine
• CAS: 394736-09-5
• 化学式: C₂₅H₂₇N₅O₃
• 分子量: 445.521
• InChiKey: PBHNXTDGHAQJIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  盐酸胍 、 2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-benzofuran-4-ylmethyl]-3-phenylamino-acrylonitrile 在 potassium tert-butylate 作用下， 生成 5-[2-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-6,7-dimethoxy-benzofuran-4-ylmethyl]-pyrimidine-2,4-diamine
  参考文献：
  名称：

  Benzofuran derivatives and their use as antibacterial agents

  摘要：

  该发明涉及新型苯并呋喃衍生物及其作为药物成分在制备药物组合物中的用途。该发明还涉及相关方面，包括制备化合物的过程、含有其中一种或多种化合物的药物组合物，特别是它们作为抗感染剂的用途。

  公开号：

  US20040034047A1

文献信息

• Benzofuran derivatives and their use as antibacterial agents
  申请人：——

  公开号：US20040034047A1

  公开（公告）日：2004-02-19

  The invention relates to novel benzofuran derivatives and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as anti-infectives.

  该发明涉及新型苯并呋喃衍生物及其作为药物成分在制备药物组合物中的用途。该发明还涉及相关方面，包括制备化合物的过程、含有其中一种或多种化合物的药物组合物，特别是它们作为抗感染剂的用途。
• BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS
  申请人：Arpida AG,

  公开号：EP1307445A1

  公开（公告）日：2003-05-07
• US7030130B2
  申请人：——

  公开号：US7030130B2

  公开（公告）日：2006-04-18
• [EN] BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS<br/>[FR] DERIVES DU BENZOFURANNE ET LEUR UTILISATION COMME AGENTS ANTIBACTERIENS
  申请人：ARPIDA AG

  公开号：WO2002010157A1

  公开（公告）日：2002-02-07

  The invention relates to novel benzofuran derivatives and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as anti-infectives.
• [EN] BENZOFURAN DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS<br/>[FR] DERIVES DE BENZOFURANNE ET LEUR UTILISATION EN TANT QU'AGENTS ANTIBACTERIENS
  申请人：ARPIDA AG

  公开号：WO2002010156A1

  公开（公告）日：2002-02-07

  The invention relates to novel benzofuran derivatives and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as anti-infectives.