2-(3,4-dihydroxyphenyl)ethyl hydrogensulfate

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(3,4-dihydroxyphenyl)ethyl hydrogensulfate
• 英文别名: 8-sulfo-hydroxytyrosol；2-(3,4-Dihydroxyphenyl)ethyl hydrogen sulfate；2-(3,4-dihydroxyphenyl)ethyl hydrogen sulfate
• 化学式: C₈H₁₀O₆S
• 分子量: 234.23
• InChiKey: BYXGMCQTVHBBRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  羟基酪醇 在 三氧化硫吡啶 作用下， 以 1,4-二氧六环 为溶剂， 反应 24.0h， 以25%的产率得到2-(3,4-dihydroxyphenyl)ethyl hydrogensulfate
  参考文献：
  名称：

  A Convenient Synthesis of Hydroxytyrosol Monosulfate Metabolites

  摘要：

  The growing interest in the bioactivity of natural polyphenols and of their metabolites requires metabolites to be used in bioassays and as standards in research protocols. We report here on the synthesis of several hydroxytyrosol metabolite monosulfates achieved using a simplified protocol with improved yields. A synthetic solution based on avoidance of high temperature conditions during the synthesis and of low pressure conditions during purification has been established. Monosulfates of several phenolic compounds, namely, hydroxytyrosol, hydroxytyrosol acetate, homovanillyl alcohol, homovanillyl alcohol acetate, homovanillic acid, ferulic acid, and 3,4-dihydroxyphenylethanoic acid, were efficiently synthesized in 1-2 steps in good yield and isolated using simple procedures. The proposed protocol was shown to be relatively rapid, efficient, cheap, and widely applicable to a number of catechol scaffolds.

  DOI：

  10.1021/acs.jafc.5b04307

文献信息

• Method for disease diagnosis based on metabolite in urine
  申请人：HITACHI, LTD.

  公开号：US10948479B2

  公开（公告）日：2021-03-16

  The present invention relates to a method, a device, and a kit for detecting a cancer, predicting a cancer risk, determining a cancer stage, determining a cancer prognosis, and/or evaluating the effectiveness of a treatment in a subject by measuring a urinary metabolite in the subject, and a method for testing a cancer.

  本发明涉及一种方法、一种设备和一种试剂盒，用于通过测量受试者的尿液代谢物来检测癌症、预测癌症风险、确定癌症分期、确定癌症预后和/或评估治疗效果，以及一种检测癌症的方法。
• METHOD FOR DISEASE DIAGNOSIS BASED ON METABOLITE IN URINE
  申请人：HITACHI, LTD.

  公开号：US20190094205A1

  公开（公告）日：2019-03-28

  The present invention relates to a method, a device, and a kit for detecting a cancer, predicting a cancer risk, determining a cancer stage, determining a cancer prognosis, and/or evaluating the effectiveness of a treatment in a subject by measuring a urinary metabolite in the subject, and a method for testing a cancer.