1-[4-[1-(5,6-Dihydrobenzo[b][1]benzazepine-11-carbonyl)piperidin-4-yl]butyl]-3-pyridin-3-ylurea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 1-[4-[1-(5,6-Dihydrobenzo[b][1]benzazepine-11-carbonyl)piperidin-4-yl]butyl]-3-pyridin-3-ylurea
• 化学式: C₃₀H₃₅N₅O₂
• 分子量: 497.6
• InChiKey: OKZJVWDHFZMZOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  77.6
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• Inhibitors of cellular niacinamide mononucleotide formation and their use in cancer therapy
  申请人：Klinge Pharma GmbH

  公开号：US20020160968A1

  公开（公告）日：2002-10-31

  New biologically active compounds are described which inhibit the cellular formation of niacinamide mononucleotide, and essential intermediate of the NAD(P) biosynthesis in the cell. These compounds can represent the active ingredient of a pharmaceutical composition for the treatment of cancers, leukaemias or for immunosuppression. Furthermore, screening methods are described as a tool for detecting the above active compounds, and for examination of a given cell type for its dependency on niacinamide as a precursor for NAD synthesis.

  本文介绍了一些新的生物活性化合物，这些化合物可以抑制细胞内烟酰胺单核苷酸的形成，该物质是NAD（P）生物合成的必要中间体。这些化合物可以作为治疗癌症、白血病或免疫抑制的药物组合物的活性成分。此外，还介绍了筛选方法，用于检测上述活性化合物，并检查给定细胞类型对烟酰胺作为NAD合成前体的依赖性。
• Inhibitors of cellular nicotinamide mononucleotide formation and their use in cancer therapy
  申请人：Klinge Pharma GmbH

  公开号：EP1031564A1

  公开（公告）日：2000-08-30

  New biologically active substances are described which inhibit the cellular formation of niacinamide mononucleotide, an essential intermediate of the NAD(P) biosynthesis in the cell. These substances can represent the active ingredient of a pharmaceutical composition for the treatment of cancers, leukaemias or for immunosuppression. Furthermore, screening methods are described as a tool for detecting the above active substances, and for examination of a given cell type for its dependency on niacinamide as a precursor for NAD synthesis.

  本文描述了新的生物活性物质，它们能抑制烟酰胺单核苷酸在细胞中的形成，而烟酰胺单核苷酸是细胞中 NAD(P) 生物合成的重要中间体。这些物质可以作为治疗癌症、白血病或免疫抑制的药物组合物的活性成分。此外，还介绍了筛选方法，作为检测上述活性物质的工具，以及检查特定细胞类型是否依赖烟酰胺作为合成 NAD 的前体。
• INHIBITORS OF CELLULAR NIACINAMIDE MONONUCLEOTIDE FORMATION AND THEIR USE IN CANCER THERAPY
  申请人：Astellas Deutschland GmbH

  公开号：EP1154998B1

  公开（公告）日：2007-09-26
• US6506572B2
  申请人：——

  公开号：US6506572B2

  公开（公告）日：2003-01-14