5-bromomethyl-4,7,8-trimethoxycoumarin | 1227617-63-1

• 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: 5-bromomethyl-4,7,8-trimethoxycoumarin
• 英文别名: 5-(Bromomethyl)-4,7,8-trimethoxychromen-2-one
• CAS: 1227617-63-1
• 化学式: C₁₃H₁₃BrO₅
• 分子量: 329.147
• InChiKey: ASQBTHQTOJUUIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-bromomethyl-4,7,8-trimethoxycoumarin 在 一水合肼 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 7,8-Dimethoxy-10-oxa-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5,7,9(13)-pentaen-11-one
  参考文献：
  名称：

  WO2010/60018

  摘要：

  公开号：

文献信息

• AZO AND DIAZA DERIVATIVES AND USES THEREOF IN PHOTOTHERAPY
  申请人：Mallinckrodt Inc.

  公开号：EP2227474A1

  公开（公告）日：2010-09-15
• Azo Derivatives and Uses Thereof in Phototherapy
  申请人：Rajagopalan Raghavan

  公开号：US20110264026A1

  公开（公告）日：2011-10-27

  The invention relates generally to optical agents, including Type 1 phototherapeutic agents, for biomedical applications, such as phototherapy. Provided are fused ring azo and diaza compounds comprising a plurality of fused rings including a first ring having an intra-ring azo or intra-ring diaza group capable of activation upon exposure to electromagnetic radiation in visible and/or infrared regions of the electromagnetic spectrum. Optical agents of the invention enable a versatile phototherapy platform for treatment of a range of pathological conditions, including the treatment of cancers, stenosis and inflammation. The invention further provides preparations and formulations comprising the fused ring azo and diaza compounds and methods of making and using the fused ring azo and diaza compounds as optical agents in in vivo or ex vivo biomedical procedures.
• [EN] AZO AND DIAZA DERIVATIVES AND USES THEREOF IN PHOTOTHERAPY<br/>[FR] DÉRIVÉS AZO ET DIAZA ET LEURS APPLICATIONS EN PHOTOTHÉRAPIE
  申请人：MALLINCKRODT INC

  公开号：WO2010060018A1

  公开（公告）日：2010-05-27

  The invention relates generally to optical agents, including Type 1 phototherapeutic agents, for biomedical applications, such as phototherapy. Provided are fused ring azo and diaza compounds comprising a plurality of fused rings including a first ring having an intra-ring azo or intra-ring diaza group capable of activation upon exposure to electromagnetic radiation in visible and/or infrared regions of the electromagnetic spectrum. Optical agents of the invention enable a versatile phototherapy platform for treatment of a range of pathological conditions, including the treatment of cancers, stenosis and inflammation. The invention further provides preparations and formulations comprising the fused ring azo and diaza compounds and methods of making and using the fused ring azo and diaza compounds as optical agents in in vivo or ex vivo biomedical procedures.