[4-(1,2-二羟基乙基)-2-甲氧基苯基]氢硫酸盐 | 3415-67-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 中文名称: [4-(1,2-二羟基乙基)-2-甲氧基苯基]氢硫酸盐
• 英文名称: 4-hydroxy-3-methoxyphenylglycol sulfate
• 英文别名: 3-methoxy-4-hydroxyphenylethyleneglycol sulfate；<4-Sulfooxy-3-methoxy-phenyl>-glykol；Sdccgsbi-0050607.P002；[4-(2-hydroxy-1-oxonioethyl)-2-methoxyphenyl] sulfate
• CAS: 3415-67-6
• 化学式: C₉H₁₂O₇S
• 分子量: 264.256
• InChiKey: WUFPNASKMLJSND-UHFFFAOYSA-N

物化性质

• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  7

ADMET

代谢

1,2-乙二醇，1-(3-甲氧基-4-(磺酸氧基)苯基)-是3-甲氧基-4-羟基苯乙醇的人体已知代谢物。

1,2-Ethanediol, 1-(3-methoxy-4-(sulfooxy)phenyl)- is a known human metabolite of 3-Methoxy-4-hydroxyphenylethyleneglycol.

来源:NORMAN Suspect List Exchange

反应信息

• 作为反应物：
  描述：

  [4-(1,2-二羟基乙基)-2-甲氧基苯基]氢硫酸盐 在 arylsulfatase from Helix pomatia 作用下， 以 aq. acetate buffer 为溶剂， 反应 24.0h， 生成 4-羟基-3-甲氧基-D3-苯基乙二醇
  参考文献：
  名称：

  使用质谱对螺旋螺旋藻中的芳基硫酸酯酶进行全面的动力学和底物特异性分析。

  摘要：

  硫酸酯酶将硫酸化的代谢产物水解成其相应的醇，并存在于生活的所有领域。这些酶已在药物的代谢研究，兴奋剂控制分析以及代谢组学中得到了重要应用。由于涉及硫酸化代谢物的代谢过程与人体病理生理状况之间的联系，人们对硫酸酯酶的兴趣有所增加。在本文中，我们介绍了从蜗牛螺旋果树提取的最常用的芳基硫酸酯酶的首次综合底物特异性和动力学分析。在过去，这种酶以酶的粗混合物形式使用，但是最近，我们已经纯化了该硫酸酯酶，以在代谢组学驱动的硫酸盐代谢物发现中的新应用。为了评估这种混杂硫酸酯酶的底物特异性，我们合成了一系列结构多样的新型硫酸盐代谢物，并采用质谱分析法对动力学底物水解进行了评估。我们对纯化的酶的分析表明，硫酸酯酶对具有双环或三环芳族骨架的代谢物具有强烈的偏好，而对单环芳族酚则具有较小的偏好。该代谢物文库和质谱方法可用于表征人类和肠道菌群中其他硫酸酯酶，以研究它们与疾病发展的关系。我们对纯化的酶的分析表明，硫

  DOI：

  10.1016/j.bmc.2019.01.031
• 作为产物：
  描述：

  1-(4-Hydroxy-3-methoxyphenyl)-1,2-diacetoxyethane 生成 [4-(1,2-二羟基乙基)-2-甲氧基苯基]氢硫酸盐
  参考文献：
  名称：

  多巴胺与普通话综合疗法

  摘要：

  描述了一些儿茶酚胺代谢产物的硫酸酯的合成。发现在吡啶溶剂中用吡啶磺酸作为酸受体在插入溶剂中用氯磺酸处理酚胺是通用的。纯化主要通过离子交换树脂进行。

  DOI：

  10.1002/hlca.19630460718

文献信息

• Diagnosis and treatment system for "reward deficiency syndrome" (RDS) and related behaviors
  申请人：Blum Kenneth

  公开号：US20060079495A1

  公开（公告）日：2006-04-13

  The present invention relates to a kit and an intravenously administrable preparation, both with a signal transmitter precursor, an enhancer of precursor uptake, and an inhibitor of neurotransmitter reuptake or signal transmitter catabolism. The kit also contains an appropriate swab for obtaining oral cells suitable for allelic analysis. The intravenous formulation contains similar materials and, in some cases, ethanol. Either the kit composition or the intravenous formulation may be used as guided by a subjects allelic analysis. Collections of particular alleles, especially those relating to neural system are comprehensible in terms of likelihood of success in the administration of an intraveinous formulation or ingestion of components of the subject kit.

  本发明涉及一种试剂盒和一种可静脉注射的制剂，两者都含有一种信号传递前体、一种前体摄取增强剂和一种神经递质再摄取或信号传递分解抑制剂。试剂盒中还含有适当的拭子，用于获取适合进行等位基因分析的口腔细胞。静脉注射制剂含有类似的材料，在某些情况下还含有乙醇。试剂盒成分或静脉注射制剂均可用于受试者等位基因分析。特定等位基因的集合，特别是那些与神经系统有关的等位基因，可以从静脉注射制剂或摄入受试者试剂盒成分的成功可能性方面进行理解。
• ALLELIC POLYGENE DIAGNOSIS OF REWARD DEFICIENCY SYNDROME AND TREATMENT
  申请人：Kenneth Blum, Inc.

  公开号：EP0979092A2

  公开（公告）日：2000-02-16
• ADDITIVES FOR ENHANCING THE ANTISTATIC PROPERTIES OF CONDUCTIVE POLYMER-BASED COATINGS
  申请人：Essilor International (Compagnie Générale d'Optique)

  公开号：EP2370527B1

  公开（公告）日：2012-10-24
• Additives for Enhancing the Antistatic Properties of Conductive Polymer-Based Coatings
  申请人：Zheng Haipeng

  公开号：US20110248223A1

  公开（公告）日：2011-10-13

  The present invention relates to a curable composition, providing, upon curing, a transparent, antistatic coating, comprising at least one conductive polymer, at least one epoxysilane binder, at least one solvent, and at least one compound of formula R 1 —[R 2 ] n —OSO 3 H or R 1 —[R 2 ] n —SO 3 H, or a salt thereof, wherein n=0 or 1, R 1 is H or a substituted or unsubstituted alkyl group, and R 2 is a substituted or unsubstituted arylene group, with the proviso that the compound of formula II is not a fluorine containing surfactant. The invention further relates to optical articles comprising a substrate at least partially coated with a transparent antistatic coating formed by depositing onto the substrate and curing the above curable composition. The obtained optical articles exhibit enhanced antistatic properties, high optical transparency with about 91% transmittance, and low haze.
• CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME
  申请人：Ecolab USA Inc.

  公开号：US20170306504A1

  公开（公告）日：2017-10-26

  Disclosed are methods for inhibiting the corrosion of metal containments such as carbon-steel pipes used in oil recovery processes, the methods comprising adding urine and/or compositions comprising urine to water sources to form corrosion inhibitor compositions, and contacting metal containments with the corrosion inhibitor compositions. The water sources are for example aqueous solutions that are corrosive to metal containments such as carbon-steel pipes. Compositions comprising urine that provide reduced corrosion or corrosion inhibition are also described. Metal containment assemblages comprising corrosion inhibitor compositions and a metal containment are also described.