6-bromo-8'-{[butyl(methyl)ammonio]methyl}-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate | 859666-94-7

• 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: 6-bromo-8'-{[butyl(methyl)ammonio]methyl}-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate
• 英文别名: 4-(6-bromo-2-oxochromen-3-yl)-8-[[butyl(methyl)azaniumyl]methyl]-2-oxochromen-7-olate
• CAS: 859666-94-7
• 化学式: C₂₄H₂₂BrNO₅
• 分子量: 484.346
• InChiKey: HOAADLUXPWZKTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  650.5±55.0 °C(Predicted)
• 密度：
  1.492±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  76.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲基(7-羟基-2-氧代-2H-苯并吡喃-4-基)乙酸酯 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 1,4-二氧六环 为溶剂， 生成 6-bromo-8'-{[butyl(methyl)ammonio]methyl}-2,2'-dioxo-2H,2'H-3,4'-bichromen-7'-olate
  参考文献：
  名称：

  Chemistry of 3-hetarylcoumarins 3*. Synthesis and aminomethylation of 7′-hydroxy-3,4′- bicoumarins

  摘要：

  An improved procedure for the synthesis of 7'-hydroxy-3,4'-bicoumarins has been developed. Their 8'-aminomethyl derivatives were obtained by interaction with aminals.

  DOI：

  10.1007/s10593-012-1009-z

文献信息

• SMALL COMPOUNDS TARGETING TACC3
  申请人：JAPANESE FOUNDATION FOR CANCER RESEARCH

  公开号：US20150111888A1

  公开（公告）日：2015-04-23

  The present invention provides a small compound targeting at TACC3. The present invention further provides a drug, particularly, an anticancer agent, comprising the small compound targeting at TACC3. A compound represented by the general formula (I) or a pharmaceutically acceptable salt, solvate, or ester derivative thereof binds to TACC3 and inhibits cell growth. Thus, these compounds can be used as drugs, particularly, anticancer agents.
• US9630953B2
  申请人：——

  公开号：US9630953B2

  公开（公告）日：2017-04-25
• Chemistry of 3-hetarylcoumarins 3*. Synthesis and aminomethylation of 7′-hydroxy-3,4′- bicoumarins
  作者：M. S. Frasinyuk、S. P. Bondarenko、V. P. Khilya

  DOI：10.1007/s10593-012-1009-z

  日期：2012.6

  An improved procedure for the synthesis of 7'-hydroxy-3,4'-bicoumarins has been developed. Their 8'-aminomethyl derivatives were obtained by interaction with aminals.