5-(6,7-dimethyl-4-oxo-4H-chromen-3-ylmethylene)-2-thioxodihydropyrimidine-4, 6-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 5-(6,7-dimethyl-4-oxo-4H-chromen-3-ylmethylene)-2-thioxodihydropyrimidine-4, 6-dione
• 英文别名: 5-[(6,7-Dimethyl-4-oxo-2,3-dihydrochromen-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
• 化学式: C₁₆H₁₄N₂O₄S
• 分子量: 330.364
• InChiKey: VNBPPTLCPATJFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS
  申请人：DE BELIN Y. Jackie

  公开号：US20080113993A1

  公开（公告）日：2008-05-15

  This invention pertains to active barbituric acid analogs which inhibit HIF-1 activity (e.g., the interaction between HIF-1$g(a) and p300) and thereby inhibit angiogenesis, tumorigenesis, and proliferative conditions, such as cancer. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit HIF-1 activity, and to inhibit angiogenesis, tumorigenesis, and proliferative conditions, such as cancer.