4-hydroxyacetophenone sulfate | 41303-92-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-hydroxyacetophenone sulfate
• 英文别名: 4-acetylphenol sulfate；p-acetylphenyl sulfate；(4-acetylphenyl) hydrogen sulfate
• CAS: 41303-92-8
• 化学式: C₈H₈O₅S
• 分子量: 216.215
• InChiKey: HOFGLAYWQRGTKC-UHFFFAOYSA-N

物化性质

• 密度：
  1.470±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-hydroxyacetophenone sulfate 在 BIS-Tris propane-acetate buffer 、 steroid sulfatase 、 Triton X-100 作用下， 生成 对羟基苯乙酮
  参考文献：
  名称：

  Molecular Recognition in Biological Systems: Phosphate Esters vs Sulfate Esters and the Mechanism of Action of Steroid Sulfatases

  摘要：

  DOI：

  10.1021/ja00118a034

文献信息

• Metabolomic profiling of prostate cancer
  申请人：The Regents of the University of Michigan

  公开号：EP2597464A2

  公开（公告）日：2013-05-29

  The present invention relates to cancer markers. In particular, the present invention provides metabolites that are differentially present in prostate cancer. The present invention further provides diagnostic, research, and therapeutic applications targeting cancer specific metabolites.

  本发明涉及癌症标记物。特别是，本发明提供了在前列腺癌中不同程度存在的代谢物。本发明进一步提供了针对癌症特定代谢物的诊断、研究和治疗应用。
• TRYPTOPHAN AS A BIOMARKERS FOR KIDNEY FUNCTION AND METHODS USING THE SAME
  申请人：Metabolon, Inc.

  公开号：EP3410115A1

  公开（公告）日：2018-12-05

  Biomarkers of kidney function and methods for using said biomarkers for assessing kidney function, monitoring kidney function, diagnosing acute kidney injury, and diagnosing chronic kidney disease are provided. Also provided are suites of small molecule entities as biomarkers for chronic kidney disease.

  本研究提供了肾功能生物标志物以及使用上述生物标志物评估肾功能、监测肾功能、诊断急性肾损伤和诊断慢性肾病的方法。此外，还提供了作为慢性肾病生物标志物的小分子实体套件。
• Methods and systems for determining autism spectrum disorder risk
  申请人：Laboratory Corporation of America Holdings

  公开号：US10041932B2

  公开（公告）日：2018-08-07

  In certain embodiments, the invention stems from the discovery that analysis of population distribution curves of metabolite levels in blood can be used to facilitate predicting risk of autism spectrum disorder (ASD) and/or to differentiate between ASD and non-ASD developmental delay (DD) in a subject. In certain aspects, information from assessment of the presence, absence, and/or direction (upper or lower) of a tail effect in a metabolite distribution curve is utilized to predict risk of ASD and/or to differentiate between ASD and DD.

  在某些实施方案中，本发明源于发现血液中代谢物水平的群体分布曲线分析可用于促进预测自闭症谱系障碍（ASD）的风险和/或区分受试者的自闭症谱系障碍和非自闭症谱系障碍发育迟缓（DD）。在某些方面，评估代谢物分布曲线中尾部效应的存在、不存在和/或方向（上部或下部）的信息可用于预测 ASD 的风险和/或区分 ASD 和 DD。
• Small molecule biochemical profiling of individual subjects for disease diagnosis and health assessment
  申请人：Metabolon, Inc.

  公开号：US10267777B2

  公开（公告）日：2019-04-23

  Methods are described herein for small molecule biochemical profiling of an individual subject for diagnosis of a disease or disorder, facilitating diagnosis of a disease or disorder, and/or identifying an increased risk of developing a disease or disorder in the individual subject. Aberrant levels of small molecules present in a sample from an individual subject are identified and diagnostic information relevant to the individual subject is obtained based on the identified aberrant levels. The obtained diagnostic information includes one or more of an identification of at least one biochemical pathway associated with the identified subset of the small molecules having aberrant levels, an identification at least one disease or disorder associated with the identified subset of the small molecules having aberrant levels, and an identification of at least one recommended follow up test associated with the identified subset of the small molecules having aberrant levels.

  本文描述了对个体受试者进行小分子生化分析的方法，以诊断疾病或失调，促进疾病或失调的诊断，和/或确定个体受试者罹患疾病或失调的风险增加。确定个体受试者样本中存在的小分子的异常水平，并根据确定的异常水平获得与个体受试者相关的诊断信息。所获得的诊断信息包括：至少一个生化途径的鉴定，该生化途径与所鉴定的具有异常水平的小分子子集相关；至少一种疾病或紊乱的鉴定，该疾病或紊乱与所鉴定的具有异常水平的小分子子集相关；至少一种推荐的后续检测的鉴定，该检测与所鉴定的具有异常水平的小分子子集相关。
• Compositions and methods that modulate digestibility in a companion animal
  申请人：NESTEC SA

  公开号：US10624370B2

  公开（公告）日：2020-04-21

  A specific type of digestibility in a companion animal can be improved by adjusting the diet of the animal to increase the amount of a compound which positively or negatively modulates the specific type of digestibility or adjusting the diet of the animal to decrease the amount of a compound which positively or negatively modulates the specific type of digestibility. The specific type of digestibility can be one or more of organic matter digestibility, dry matter digestibility, fiber digestibility, energy digestibility, fat digestibility, or protein digestibility.

  通过调整动物的饮食，增加对特定类型消化率有积极或消极调节作用的化合物的用量，或调整动物的饮食，减少对特定类型消化率有积极或消极调节作用的化合物的用量，可以改善伴侣动物的特定类型消化率。特定类型的消化率可以是有机物消化率、干物质消化率、纤维消化率、能量消化率、脂肪消化率或蛋白质消化率中的一种或多种。