(8S,9S,10R,11S,13S,14S,17R)-6,11,17-Trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one

• 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)-6,11,17-Trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
• 英文别名: (8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
• 化学式: C₂₁H₃₀O₆
• 分子量: 378.5
• InChiKey: GNFTWPCIRXSCQF-ZHAFKKQJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  27
• 可旋转键数：
  2
• 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

• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• Heteroaryl-Ketone Fused Azadecalin Glucocorticoid Receptor Modulators
  申请人：Corcept Therapeutics, Inc.

  公开号：US20140038926A1

  公开（公告）日：2014-02-06

  The present invention provides heteroaryl ketone fused azadecalin compounds and methods of using the compounds as glucocorticoid receptor modulators.

  本发明提供了杂环基酮融合的氮杂十环化合物，以及使用这些化合物作为糖皮质激素受体调节剂的方法。
• Method of measuring drug-metabolizing enzyme activity, method of evaluating inhibition of drug-metabolizing enzyme activity, and composition for these methods
  申请人：Toyo Boseki Kabushiki Kaisha

  公开号：US20040106216A1

  公开（公告）日：2004-06-03

  The present invention provides a method of measuring drug-metabolizing enzyme activity, wherein a drug-metabolizing enzyme is first applied to a substrate (particularly an endogenous unmodified substrate), and measurement is performed preferably within three hours by immunochemical assay of the resulting product.

  本发明提供了一种测量药物代谢酶活性的方法，其中首先将药物代谢酶应用于底物（特别是内源性未修饰的底物），然后通过测量所得产物的免疫化学分析，最好在三小时内进行测量。
• ASSAY FOR ANALYTES USING MULTIPLE RECEPTORS
  申请人：Lewisch Sandra A.

  公开号：US20120045847A1

  公开（公告）日：2012-02-23

  A method for determining an analyte in a sample suspected of containing the analyte comprises providing in combination a medium, the sample, and two or more different receptors. Each different receptor binds to at least two different epitopic sites. One of the epitopic sites is a common binding site and one of the epitopic sites is non-common binding site. The non-common epitopic sites are different for each different receptor. The receptors exhibit mono-molecular binding. The medium is incubated under conditions for binding of the receptors to the epitopic sites. The medium is examined for the presence and/or amount of complexes comprising the epitopic sites and the receptors. The presence and/or amount of the complexes indicate the presence and/or amount of the analyte in the sample.

  一种用于测定样品中可能含有的分析物的方法，包括将介质、样品和两个或更多不同的受体组合在一起。每个不同的受体结合至少两个不同的表位。其中一个表位是共同的结合位点，另一个表位是非共同的结合位点。非共同表位对于每个不同的受体是不同的。受体表现出单分子结合。在结合受体到表位的条件下，孵育介质。检查介质中是否存在并/或复合物的数量，包括表位和受体。复合物的存在和/或数量表明样品中存在和/或分析物的数量。
• 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。