(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one | 86002-90-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
• CAS: 86002-90-6
• 化学式: C₂₁H₃₀O₆
• 分子量: 378.5
• InChiKey: HESFZGWRDUVOMS-UKSDXMLSSA-N

物化性质

• 沸点：
  615.9±55.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  6

文献信息

• DETERMINATION OF LAMOTRIGINE BY MASS SPECTROMETRY
  申请人：Chan Sum

  公开号：US20110306080A1

  公开（公告）日：2011-12-15

  The present invention relates to compositions and methods for analyzing analytes of interest in liquid samples by mass spectrometry, and preferably in patient samples. Preferred analytes of interest include sirolimus (rapamycin), corticosteroids, bile acids and lamotrigine (lamictal). In one embodiment, by careful selection of target ions, a number of corticosteroids can be analyzed simultaneously and without interference from closely related molecules. In another embodiment, the present methods combine high turbulence liquid chromatography with mass spectrometry performed in positive and negative mode in a single assay to enable the detection and quantification of the composition of bile acid pools. By combining mass spectrometry and high-throughput chromatography, the methods and compositions described herein can provide a rapid, sensitive, and accurate assay for use in large clinical laboratories.

  本发明涉及用质谱分析液体样品中感兴趣的分析物的组成和方法，优选地在患者样品中进行。感兴趣的分析物包括西罗莫司（雷帕霉素）、皮质类固醇、胆汁酸和拉莫三嗪（拉莫地平）。在一种实施例中，通过精心选择目标离子，可以同时分析多种皮质类固醇，并且不受密切相关分子的干扰。在另一种实施例中，本方法将高湍流液相色谱与正负离子质谱分析结合在一个单一的测定中，以便检测和定量胆汁酸池的组成。通过结合质谱和高通量色谱，本文所描述的方法和组成物可以为大型临床实验室提供快速、灵敏和准确的测定。
• MICROFLUIDIC CARTRIDGE WITH FLUID CONTROL
  申请人：LumiraDx UK Limited

  公开号：EP3736043A1

  公开（公告）日：2020-11-11

  The present invention relates to a microfluidic assay system and associated reading device, as well as the individual components themselves. The present invention also relates to methods of conducting assays, using a disposable system and associated reading device, as well as kits for conducting assays.

  本发明涉及一种微流体检测系统和相关读取装置，以及各个组件本身。本发明还涉及使用一次性系统和相关读取装置进行检测的方法，以及进行检测的试剂盒。
• Fluid control
  申请人：LumiraDx UK Ltd.

  公开号：US11000847B2

  公开（公告）日：2021-05-11

  The present invention relates to a microfluidic assay system and associated reading device, as well as the individual components themselves. The present invention also relates to methods of conducting assays, using a disposable system and associated reading device, as well as kits for conducting assays.

  本发明涉及一种微流体检测系统和相关读取装置，以及各个组件本身。本发明还涉及使用一次性系统和相关读取装置进行检测的方法，以及进行检测的试剂盒。
• Method of evaluating adrenal steroids in saliva collected by cotton swab
  申请人：KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY

  公开号：US11360105B2

  公开（公告）日：2022-06-14

  The present invention relates to a method for evaluating metabolic activity based on the concentrations of cortisol and its precursors and metabolites thereof in saliva collected by a swab for the measurement of adrenal steroids relating to biochemical stress evaluation and more particularly, to a method of comparing metabolic activity of physiologically different adrenal steroids by analyzing adrenal steroids including cortisol and cortisone extracted from a trace amount of saliva by mass spectrometry and evaluating the metabolic ratio between the two compounds as well as the absolute amount of each compound. Accordingly, the present invention can be utilized as an index for evaluating response to biochemical stress and related diseases by measuring the amounts of adrenal steroids including cortisol and cortisone in a trace amount of saliva collected with a swab.

  本发明涉及一种根据拭子收集的唾液中皮质醇及其前体和代谢物的浓度来评估代谢活性的方法，用于测量与生化压力评估有关的肾上腺类固醇，更具体地说、通过质谱法分析从痕量唾液中提取的肾上腺类固醇（包括皮质醇和可的松），评估两种化合物之间的代谢比率以及每种化合物的绝对量，从而比较生理上不同的肾上腺类固醇的代谢活性的方法。因此，本发明通过测量用拭子收集的微量唾液中肾上腺类固醇（包括皮质醇和可的松）的含量，可用作评估对生化压力和相关疾病反应的指标。
• FLUID CONTROL IN AN ASSAY SYSTEM
  申请人：LUMIRADX UK LTD

  公开号：EP3478410B1

  公开（公告）日：2020-04-01