2-(4'-hydroxy-3'-methoxyphenyl)-7-methoxy-5-propylbenzo[b]furan-3-carbaldehyde

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 2-(4'-hydroxy-3'-methoxyphenyl)-7-methoxy-5-propylbenzo[b]furan-3-carbaldehyde
• 英文别名: 2-(4-Hydroxy-3-methoxyphenyl)-7-methoxy-5-propyl-1-benzofuran-3-carbaldehyde
• 化学式: C₂₀H₂₀O₅
• 分子量: 340.376
• InChiKey: QTNWBPXNSFLLMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  68.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-丙基苯酚 在 palladium on activated charcoal 盐酸 、 potassium chloride 、 氢气 、 溴 、 溶剂黄146 、 copper dichloride 、 barium(II) oxide 作用下， 以 四氢呋喃 、 吡啶 、 二氯甲烷 为溶剂， 反应 42.0h， 生成 2-(4'-hydroxy-3'-methoxyphenyl)-7-methoxy-5-propylbenzo[b]furan-3-carbaldehyde
  参考文献：
  名称：

  XH-14 analogues as adenosine antagonists

  摘要：

  Analogues of the potent adenosine antagonist 5-(3'-hydroxypropyl)-7-methoxy-2-(3'-methoxy-4'-hydroxyphenyl)benzo[b]furan-3-carbaldehyde (XH-14, 1) with alternate substituents in the 2-, 5- and 7-positions have been synthesised. The affinity of these compounds for the Al adenosine receptor has been evaluated using a [H-3]CPX competitive binding assay. This structure-activity study highlighted the importance of the 3-formyl and 5-(3-hydroxypropyl) moieties for high receptor affinity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00093-5

文献信息

• XH-14 analogues as adenosine antagonists
  作者：Peter J. Scammells、Stephen P. Baker、Anthony R. Beauglehole

  DOI：10.1016/s0968-0896(98)00093-5

  日期：1998.9

  Analogues of the potent adenosine antagonist 5-(3'-hydroxypropyl)-7-methoxy-2-(3'-methoxy-4'-hydroxyphenyl)benzo[b]furan-3-carbaldehyde (XH-14, 1) with alternate substituents in the 2-, 5- and 7-positions have been synthesised. The affinity of these compounds for the Al adenosine receptor has been evaluated using a [H-3]CPX competitive binding assay. This structure-activity study highlighted the importance of the 3-formyl and 5-(3-hydroxypropyl) moieties for high receptor affinity. (C) 1998 Elsevier Science Ltd. All rights reserved.