7-Amino-4-methyl-2-oxo-2H-1-benzopyran-3-carboxamide | 570376-44-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 7-Amino-4-methyl-2-oxo-2H-1-benzopyran-3-carboxamide
• 英文别名: 7-amino-4-methyl-2-oxochromene-3-carboxamide
• CAS: 570376-44-2
• 化学式: C₁₁H₁₀N₂O₃
• 分子量: 218.21
• InChiKey: GSIWCTDVOYCYND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  95.4
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Hepsin substrates and prodrugs
  申请人：IRM, LLC

  公开号：US20040009911A1

  公开（公告）日：2004-01-15

  Substrate specificity profiles are used to determine optimal hepsin substrate sequences, both to the prime side and non-prime side of the hepsin recognition site. The hepsin substrate sequences are used in designing substrates, inhibitors, and prodrugs. For example, prodrugs are provided for use in the treatment of prostate cancer. Hepsin inhibitors based on substrate specificity are also provided.

  底物特异性图谱用于确定最佳的hepsin 底物序列，包括hepsin 识别位点的质子侧和非质子侧。嗜肝素底物序列可用于设计底物、抑制剂和原药。例如，提供了用于治疗前列腺癌的原药。此外，还提供了基于底物特异性的肝素抑制剂。
• [EN] HEPSIN SUBSTRATES AND PRODRUGS<br/>[FR] SUBSTRATS DE L'HEPSINE ET PROMEDICAMENTS
  申请人：IRM LLC

  公开号：WO2003064620A2

  公开（公告）日：2003-08-07

  Substrate specificity profiles are used to determine optimal hepsin substrate sequences, both to the prime side and non-prime side of the hepsin recognition site. The hepsin substrate sequences are used in designing substrates, inhibitors, and prodrugs. For example, prodrugs are provided for use in the treatment of prostate cancer. Hepsin inhibitors based on substrate specificity are also provided.