5,8-Diethoxypsoralen

• 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: 5,8-Diethoxypsoralen
• 英文别名: 4,9-diethoxyfuro[3,2-g]chromen-7-one
• 化学式: C₁₅H₁₄O₅
• 分子量: 274.273
• InChiKey: XZJRLHJHYQCJTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  57.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  花椒毒醇 在 chromium(VI) oxide 、 盐酸 、 potassium carbonate 、 溶剂黄146 、 锌 作用下， 以 丙酮 为溶剂， 反应 8.0h， 生成 5,8-Diethoxypsoralen
  参考文献：
  名称：

  Alkoxypsoralens, Novel Nonpeptide Blockers of Shaker-Type K⁺ Channels:  Synthesis and Photoreactivity

  摘要：

  A series of psoralens and structurally related 5,7-disubstituted coumarins was synthesized and investigated for their K+ channel blocking activity as well as for their phototoxicity to Artemia salina and their ability to generate singlet oxygen and to photomodify DNA. After screening the compounds on Ranvier nodes of the toad Xenopus Laevis, the affinities of the most promising compounds, which proved to be psoralens bearing alkoxy substituents in the 5-position or alkoxymethyl substituents in the neighboring 4- or 4'-position, to a number of homomeric K+ channels were characterized. All compounds exhibited the highest affinity to Kv1.2. 5,8-Diethoxypsoralen (10d) was found to be an equally potent inhibitor of Kv1.2 and Kv1.3, while lacking the phototoxicity normally inherent in psoralens. The reported compounds represent a novel series of nonpeptide blockers of Shaker-type K+ channels that could be further developed into selective inhibitors of Kv1.2 or Kv1.3.

  DOI：

  10.1021/jm981032o

文献信息

• Method for identification and functional characterization of agents which modulate ion channel activity
  申请人：Perschke Scott

  公开号：US20060136140A1

  公开（公告）日：2006-06-22

  Materials, methods and a computer system are provided which facilitate the identification and characterization of modulators of potassium ion channels, particularly the HERG channel.

  所提供的材料、方法和计算机系统有助于识别和鉴定钾离子通道，特别是 HERG 通道的调节剂。
• A METHOD FOR IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF AGENTS WHICH MODULATE ION CHANNEL ACTIVITY
  申请人：Novascreen Biosciences

  公开号：EP1839222A2

  公开（公告）日：2007-10-03
• METHOD FOR IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF AGENTS WHICH MODULATE ION CHANNEL ACTIVITY
  申请人：Perschke Scott

  公开号：US20100191475A1

  公开（公告）日：2010-07-29

  Materials, methods and a computer system are provided which facilitate the identification and characterization of modulators of potassium ion channels, particularly the HERG channel.
• [EN] A METHOD FOR IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF AGENTS WHICH MODULATE ION CHANNEL ACTIVITY<br/>[FR] METHODE D'IDENTIFICATION ET DE CARACTERISATION FONCTIONNELLE D'AGENTS MODULANT L'ACTIVITE D'UN CANAL IONIQUE
  申请人：NOVASCREEN BIOSCIENCES

  公开号：WO2006066219A2

  公开（公告）日：2006-06-22

  [EN] Materials, methods and a computer system are provided which facilitate the identification and characterization of modulators of potassium ion channels, particularly the HERG channel.
  [FR] L'invention concerne des substances, des méthodes et un système informatique qui permettent de faciliter l'identification et la caractérisation de modulateurs des canaux potassiques, en particulier du canal HERG.