5,8-二羟基-2-〔2-(4'-甲氧基苯基)乙基〕色酮 | 128922-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 5,8-二羟基-2-〔2-(4'-甲氧基苯基)乙基〕色酮
• 中文别名: 5,8-二羟基-2-〔2-(4’-甲氧基苯基)乙基〕色酮
• 英文名称: 5,8-Dihydroxy-2-(2-(4-methoxyphenyl)ethyl)chromone
• 英文别名: 5,8-dihydroxy-2-[2-(4-methoxyphenyl)ethyl]chromen-4-one
• CAS: 128922-70-3
• 化学式: C₁₈H₁₆O₅
• 分子量: 312.3
• InChiKey: PCLFEHAPITXKJL-UHFFFAOYSA-N

物化性质

• 沸点：
  540.2±50.0 °C(Predicted)
• 密度：
  1.333±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] 2-SUBSTITUTED-5-HYDROXY-4H-CHROMEN-4-ONES AS NOVEL LIGANDS FOR THE SEROTONIN RECEPTOR 2B (5-HT2B)<br/>[FR] 5-HYDROXY-4 H-CHROMÈNE-4-ONES SUBSTITUÉS EN 2 COMME NOUVEAUX LIGANDS POUR LE RÉCEPTEUR DE LA SÉROTONINE 2B (5-HT2B)
  申请人：UNIV VIRGINIA COMMONWEALTH

  公开号：WO2015116460A1

  公开（公告）日：2015-08-06

  A family of compounds which function as selective ligands for the serotonin receptor 2B (5-HT2B) is identified. Some of the compounds are synthetic non-natural ligands which have a relatively strong interaction with 5-HT2B compared to naturally occurring compounds (some of which are identified for the first time herein as ligands for 5-HT2B). Because the compounds, both naturally occurring and synthetically produced, function as ligands for 5-HT2B they will have application in, for example, the treatment and/or prevention of nervous system disorders such as Alzheimer's disease.

  已鉴定出一类化合物家族，其作为选择性血清素受体2B（5-HT2B）的配体。其中一些化合物是合成的非天然配体，与天然存在的化合物相比，它们与5-HT2B有相对较强的相互作用（其中一些在此处首次被确认为5-HT2B的配体）。由于这些化合物，无论是天然存在的还是合成的，都作为5-HT2B的配体，它们将在治疗和/或预防神经系统疾病如阿尔茨海默病等方面发挥作用。
• 2-SUBSTITUTED-5-HYDROXY-4H-CHROMEN-4-ONES AS NOVEL LIGANDS FOR THE SEROTONIN RECEPTOR 2B (5-HT2B)
  申请人：VIRGINIA COMMONWEALTH UNIVERSITY

  公开号：US20170029399A1

  公开（公告）日：2017-02-02

  A family of compounds which function as selective ligands for the serotonin receptor 2B (5-HT 2B ) is identified. Some of the compounds are synthetic non-natural ligands which have a relatively strong interaction with 5-HT2B compared to naturally occurring compounds (some of which are identified for the first time herein as ligands for 5-HT 2B ). Because the compounds, both naturally occurring and synthetically produced, function as ligands for 5-HT 2B they will have application in, for example, the treatment and/or prevention of nervous system disorders such as Alzheimer's disease.
• US9884836B2
  申请人：——

  公开号：US9884836B2

  公开（公告）日：2018-02-06