(2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylic acid

• 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: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylic acid
• 化学式: C₂₄H₃₂O₈
• 分子量: 448.5
• InChiKey: MTKNDAQYHASLID-BFXFFQJBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  137
• 氢给体数：
  5
• 氢受体数：
  8

ADMET

代谢

17-β-雌二醇葡萄糖苷酸是17-β-雌二醇的一个已知人体代谢物。

17-beta-Estradiol glucuronide is a known human metabolite of 17-beta-estradiol.

来源:NORMAN Suspect List Exchange

文献信息

• Spirocyclic Heterocycles Medicaments Containing Said Compounds, Use Thereof And Method For Their Production
  申请人：Himmelsbach Frank

  公开号：US20110046148A1

  公开（公告）日：2011-02-24

  The present invention relates to spirocyclic heterocycles of general formula (I) the tautomers, the stereoisomers, the mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids, which have valuable pharmacological properties, particularly an inhibitory effect on signal transduction mediated by tyrosine kinases, the use thereof for the treatment of diseases, particularly tumoral diseases as well as benign prostatic hyperplasia (BPH), diseases of the lungs and airways, and the preparation thereof.

  本发明涉及一般式(I)的螺环杂环化合物，其包括其互变异构体、立体异构体、它们的混合物和盐，特别是与无机或有机酸形成的生理上可接受的盐，具有有价值的药理特性，特别是对酪氨酸激酶介导的信号传导具有抑制作用，其用于治疗疾病，特别是肿瘤性疾病以及良性前列腺增生（BPH）、肺部和气道疾病，以及其制备方法。
• METABOLITES OF BICTEGRAVIR
  申请人：Gilead Sciences, Inc.

  公开号：US20190224206A1

  公开（公告）日：2019-07-25

  The present invention provides metabolites of the antiviral drug bictegravir, including compositions and salts thereof, which are useful in the prevention and/or treatment of HIV as well as analytical methods related to the administration of bictegravir.

  本发明提供了抗病毒药物比克特格韦的代谢产物，包括其组合物和盐，这些代谢产物在预防和/或治疗HIV方面非常有用，同时还提供了与比克特格韦的给药相关的分析方法。
• Determination of steroid hormone glucuronides
  申请人：ABBOTT LABORATORIES

  公开号：EP0114614A2

  公开（公告）日：1984-08-01

  The present invention relates generally to the quantitative determination of steroid hormone glucuronides. More specifically, the invention provides a novel immunological assay procedure for quantifying specific steroid hormone glucuronides utilizing a tracer comprising a steroid hormone glucuronide covalently bound to an enzyme.

  本发明一般涉及类固醇激素葡糖醛酸的定量测定。更具体地说，本发明提供了一种新颖的免疫学检测程序，利用由与酶共价结合的类固醇激素葡糖醛酸组成的示踪剂来定量检测特定的类固醇激素葡糖醛酸。
• Monitoring methods and devices for use therein
  申请人：UNIPATH LIMITED

  公开号：EP0703454A1

  公开（公告）日：1996-03-27

  Methods, devices and test kits for monitoring the ovulation cycle, involve testing the body fluid, e.g. urinary, concentration of one or more analytes. Preferably estrone-3-glucuronide and luteinizing hormone are both measured, and a reference concentration for E3G is established at about day 6 of the current cycle. Preferably, disposable testing devices are used, in conjunction with a relatively permanent electronic reader/monitor. The number of "daily" tests required per month can be minimised.

  监测排卵周期的方法、装置和检测试剂盒包括检测体液（如尿液）中一种或多种分析物的浓度。最好同时检测雌酮-3-葡萄糖醛酸和促黄体生成素，并在当前周期的第 6 天左右确定雌酮-3-葡萄糖醛酸的参考浓度。最好使用一次性检测设备和相对固定的电子阅读器/监测器。这样可以最大限度地减少每月所需的 "每日 "检测次数。
• Monitoring methods, devices and test kits
  申请人：UNIPATH LIMITED

  公开号：EP0983748A2

  公开（公告）日：2000-03-08

  A method of monitoring the status of a current ovulation cycle of an individual female mammalian (generally human) subject, involving repeated testing of the body fluid concentration of at least one analyte, preferably estrone-3-glucuronide (E3G) of significance in relation to the status of the ovulation cycle, during at least the pre-ovulation phase of the current ovulation cycle of the individual subject, wherein testing for said analyte concentration during the current ovulation cycle conducted at least once during the interval spanning days 1 to 7 inclusive following the onset of menses, to establish a reference concentration value for analyte in the current cycle, and then testing is conducted repeatedly during a plurality of days, preferably commencing at least 5 numerical days in advance of the mean numerical day on which actual ovulation has occurred over one or more previous ovulation cycles in the same individual subject, analyte concentration values obtained during said repeated testing being compared with the reference concentration value to determine whether a concentration change indicative of imminent ovulation is occurring or has occurred since the previous test. The method can be based solely on E3G measurements.

  一种监测个体雌性哺乳动物（一般为人类）当前排卵周期状态的方法，包括在个体受试者当前排卵周期的至少排卵前阶段，重复检测至少一种分析物的体液浓度，优选与排卵周期状态有关的重要分析物雌酮-3-葡萄糖醛酸（E3G），其中在当前排卵周期中，在月经来潮后第1天至第7天（包括第7天）的间隔期间至少检测一次所述分析物浓度、将所述重复检测期间获得的分析物浓度值与参考浓度值进行比较，以确定表明即将排卵的浓度变化是否正在发生或自上次检测以来已经发生。该方法可完全基于 E3G 测量。