对乙酰氨基酚葡糖苷酸 | 16110-10-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 对乙酰氨基酚葡糖苷酸
• 中文别名: (4-乙酰氨基苯基)-葡糖苷酸
• 英文名称: [14C]-Acetaminophen glucuronide
• 英文别名: Acetaminophen glucuronide；1-O-(4-acetamidophenyl)-β-D-glucopyranuronic acid；acetyl-4-aminophenyl beta-D-glucopyranosiduronic acid；4-acetamidophenyl β-D-glucuronide；acetaminophen β-D-glucuronide；4-glucuronosido-acetanilide；(2S,3S,4S,5R,6S)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
• CAS: 16110-10-4
• 化学式: C₁₄H₁₇NO₈
• 分子量: 327.291
• InChiKey: IPROLSVTVHAQLE-BYNIDDHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  146
• 氢给体数：
  5
• 氢受体数：
  8

安全信息

• 储存条件：
  2-8°C

制备方法与用途

对乙酰氨基酚葡糖苷酸（APAP-glu）是对乙酰氨基酚（HY-66005）的一种非活性代谢物。对乙酰氨基酚是一种选择性的环氧合酶-2（COX-2）抑制剂，同时也是有效的肝脏N-乙酰转移酶2（NAT2）抑制剂。

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 乙酸酐 、 对乙酰氨基酚葡糖苷酸 在 吡啶 、 乙醚 、 乙醇 作用下， 生成 4-乙酰氨基苯基-三乙酰基-beta-D-葡萄糖苷酸甲酯
  参考文献：
  名称：

  Smith; Williams, Biochemical Journal, 1948, vol. 42, p. 538,541

  摘要：

  DOI：
• 作为产物：
  描述：

  3,4,6-三邻乙酰基-alpha-D-吡喃葡萄糖 1,2-(原酸甲酯) 在 水 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 20.5h， 生成 对乙酰氨基酚葡糖苷酸
  参考文献：
  名称：

  Preparation and characterisation of solid state forms of paracetamol-O-glucuronide

  摘要：

  The synthesis and crystallisation of the pharmaceutically important metabolite, paracetamol-O-glucuronide, is described. Hydrated and anhydrous forms of the target molecule have been characterised by PXRD, DSC and TGA. In addition, a methanol solvate has been analysed, including single crystal analysis, which represents the first structure solution for this system. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2011.12.018

文献信息

• METHOD OF PREPARING DENDRONS AND DENDRIMERS WITH HETEROCYCLIC SUBSTRUCTURES OF IMINO-ETHERS AND DERIVATIVES USING NON-STANDARD MEANS AND MICROWAVES
  申请人：Centro Nacional De Investigaciones Cientificas (CNIC)

  公开号：EP1566399A1

  公开（公告）日：2005-08-24

  Dendrons and dendrimers are prepared by synthetic procedures under microwaves starting from heterocyclic substructures of C2 and C4 substituted iminoethers or from their boronic, sulfonic and phosphoric derivatives, or from their N-substituted derivatives, cyclic and acyclics, their products of hydrolysis or the transformations of them in other pentagonal nitrogenated heterocycles with incorporation in some cases, of structural units of chromogenic or fluorogenic glucuronides in their cavities or in the dendrimeric surface, in dependence of the functionality of the outlying groups. Starting from different reactions of the iminoetheres with carboxylic acids, anhydrides, esters, bases, aldehydes, alkyl halides, amines, isocyanates, aromatic thiols, by pyrolysis or hydrolysis, in sequences of selected reactions, alternated and iteratives, with the use of procedures and non classic methods of synthesis under microwaves at power between 30 and 300 Watt at 2450 MHz, to achieve the formation of basic substructures for the construction of dendrons, arms or ramifications of dendritic structures of different generations, from G0 to G4, by a convergent strategy, in presence or absence of solvents and/or polymeric or mineral solid supports.

  树枝状分子和树枝状聚合物是在微波条件下通过合成程序制备的，其起始原料是 C2 和 C4 取代的亚氨基乙烷杂环子结构，或其硼酸、磺酸和磷酸衍生物，或其 N 取代衍生物、环状和非环状衍生物、它们的水解产物，或它们在其他五角含氮杂环中的转化产物，在某些情况下，它们的空腔或树枝状表面会根据外层基团的功能性加入致色或致氟葡萄糖醛酸的结构单元。 从亚胺醚与羧酸、酸酐、酯、碱、醛、烷基卤化物、胺、异氰酸酯、芳香族硫醇的不同反应开始，通过热解或水解，在选定的反应序列中，交替和迭代，在功率介于 30 瓦到 300 瓦、频率为 2450 兆赫的微波下，使用程序和非传统的合成方法、在有或没有溶剂和/或聚合物或矿物固体支持物的情况下，通过聚合策略，形成基本的亚结构，用于构建从 G0 到 G4 不同世代的树枝状结构的树枝、树枝臂或树枝分支。
• Biomarkers for prostate cancer and methods using the same
  申请人：Metabolon Inc.

  公开号：EP2560006A2

  公开（公告）日：2013-02-20

  Methods for identifying and evaluating suites of biochemical and/or gene entities useful as biomarkers for early predication of prostate cancer, disease grading, target identification/validation, and monitoring of drug efficacy are provided. Also provided are suites of small molecule entities as biomarkers for prostate cancer

  本研究提供了鉴定和评估可用作前列腺癌早期预测、疾病分级、靶点鉴定/验证和药物疗效监测的生物标记物的生化和/或基因实体组的方法。此外，还提供了作为前列腺癌生物标记物的小分子实体套件。
• Graphite electrode comprising electrochemically reduced graphene oxide and methods thereof
  申请人：KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS

  公开号：US10156539B2

  公开（公告）日：2018-12-18

  A modified graphite electrode comprising a coating of electrochemically reduced graphene oxide. The modified graphite electrode may be employed in detecting of uric acid. A sensing device comprising the modified graphite electrode and a method of making the modified graphite electrode are described herein.

  一种改性石墨电极，包括一层电化学还原氧化石墨烯涂层。改性石墨电极可用于检测尿酸。本文描述了一种包含改性石墨电极的传感装置和一种制造改性石墨电极的方法。
• Method for producing adult liver progenitor cells
  申请人：Promethera Biosciences S.A./N.V.

  公开号：US10172889B2

  公开（公告）日：2019-01-08

  Novel adult liver progenitor cells (called H2Stem Cells) have been have been characterized on the basis of a series of biological activities and markers. Methods for producing H2Stem Cells allow providing such cells in the form of adherent cells and three-dimensional cell clusters in suspension that can be differentiated into cells having strong liver-specific activities and/or that can be used for treating liver diseases or for evaluating the efficacy, the metabolism, and/or toxicity of a compound.

  新型成人肝脏祖细胞（称为 H2 干细胞）已根据一系列生物活性和标志物进行了鉴定。生产 H2Stem 细胞的方法可提供粘附细胞和悬浮三维细胞簇形式的此类细胞，这些细胞可分化为具有强大肝脏特异性活性和/或可用于治疗肝脏疾病或评估化合物的疗效、代谢和/或毒性的细胞。
• Measurement of gluconeogenesis and intermediary metabolism using stable isotopes
  申请人：——

  公开号：US20030148533A1

  公开（公告）日：2003-08-07

  The present invention provides a combination of carbon-13 and deuterium metabolic tracers and methods that when used in conjuction with nuclear manegtic resonance spectroscopy, provide a measurement of metabolic fluxes in the target organisms. The tracers of the present invention may be taken orally during the same clinical exam. The metabolic information can be derived from blood, urine or other fluids to provide a comprehensive profile of glucogenic metabolism. The subject matter of the present invention may be applied to the study of metabolic dysfunction related to obesity, diabetes, HIV infection and a variety of other disease conditions.

  本发明提供了碳-13 和氘代谢示踪剂的组合及方法，当与核曼共振光谱法结合使用时，可测量目标生物体的代谢通量。本发明的示踪剂可在同一次临床检查中口服。代谢信息可来自血液、尿液或其他液体，以提供全面的糖代谢概况。本发明的主题可应用于研究与肥胖、糖尿病、HIV 感染和其他各种疾病有关的代谢功能障碍。