(E)-1-[2-Hydroxy-4-(tetrahydro-pyran-2-yloxy)-phenyl]-3-(4-methylsulfanyl-phenyl)-propenone | 1026349-70-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: (E)-1-[2-Hydroxy-4-(tetrahydro-pyran-2-yloxy)-phenyl]-3-(4-methylsulfanyl-phenyl)-propenone
• 英文别名: (E)-1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one
• CAS: 1026349-70-1
• 化学式: C₂₁H₂₂O₄S
• 分子量: 370.469
• InChiKey: UNQHLFMOIKFEJT-KPKJPENVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  81.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (E)-1-[2-Hydroxy-4-(tetrahydro-pyran-2-yloxy)-phenyl]-3-(4-methylsulfanyl-phenyl)-propenone 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 生成 (E)-1-(2,4-Dihydroxy-phenyl)-3-(4-methylsulfanyl-phenyl)-propenone
  参考文献：
  名称：

  Synthesis and activity of a new series of chalcones as aldose reductase inhibitors

  摘要：

  A new series of chalcone derivatives has been synthesized and tested in vitro in order to assess their ability to inhibit aldose reductase enzyme (ALR2) and their specificity towards the target enzyme with respect to other oxidoreductases, such as aldehyde reductase, sorbitol dehydrogenase, and glutathione reductase. All the compounds display affinity for ALR2. The X-ray crystal structure of 1-(2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)propen-1-one was determined. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80010-5
• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 在 barium dihydroxide 、 4-甲基苯磺酸吡啶 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 (E)-1-[2-Hydroxy-4-(tetrahydro-pyran-2-yloxy)-phenyl]-3-(4-methylsulfanyl-phenyl)-propenone
  参考文献：
  名称：

  Synthesis and activity of a new series of chalcones as aldose reductase inhibitors

  摘要：

  A new series of chalcone derivatives has been synthesized and tested in vitro in order to assess their ability to inhibit aldose reductase enzyme (ALR2) and their specificity towards the target enzyme with respect to other oxidoreductases, such as aldehyde reductase, sorbitol dehydrogenase, and glutathione reductase. All the compounds display affinity for ALR2. The X-ray crystal structure of 1-(2,4-dihydroxyphenyl)-3-(2-methoxyphenyl)propen-1-one was determined. (C) Elsevier, Paris.

  DOI：

  10.1016/s0223-5234(99)80010-5