雄酮单硫酸酯 | 2479-86-9

• 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
• 中文名称: 雄酮单硫酸酯
• 中文别名: (1R-反)-2,2-二甲基-3-(2-甲基丙-1-烯基)环丙羰基氯化
• 英文名称: Androsterone sulfate
• 英文别名: 5α-androstan-3α-ol-17-one-3-sulfate；androsterone-SO4；3α-sulfooxy-5α-androstan-17-one；3α-Sulfooxy-5α-androstan-17-on；5α-Androstan-3α-ol-17-one Sulfate；[(3R,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
• CAS: 2479-86-9
• 化学式: C₁₉H₃₀O₅S
• 分子量: 370.51
• InChiKey: ZMITXKRGXGRMKS-HLUDHZFRSA-N

物化性质

• 密度：
  1.27±0.1 g/cm3(Predicted)
• 物理描述：
  Solid

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  89
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  雄酮单硫酸酯 、 丹磺酰肼 生成 [(3R,5S,8R,9S,10S,13S,14S,17E)-17-[[5-(dimethylamino)naphthalen-1-yl]sulfonylhydrazinylidene]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
  参考文献：
  名称：

  IWATA, JIHEI;SUGA, TETUYA, J. CHROMATOGR., 474,(1989) N, C. 363-371

  摘要：

  DOI：
• 作为产物：
  描述：

  雄酮 在 三氧化硫 、 三乙胺 作用下， 生成 雄酮单硫酸酯
  参考文献：
  名称：

  类固醇共轭物IV。用三乙胺-三氧化硫制备甾族硫酸盐。

  摘要：

  DOI：

  10.1016/s0039-128x(68)80079-0

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。
• Steroids and therapeutic compositions containing same
  申请人：Research Corporation

  公开号：EP0423842A2

  公开（公告）日：1991-04-24

  Steroids of the formula and a therapeutic composition containing same which are useful as anti-cancer, anti-obesity, anti-hyperglycemic, anti-autoimmune and anti-hypercholesterolemic agents.

  式中的类固醇 以及含有这些物质的治疗组合物，可用作抗癌、抗肥胖、抗高血糖、抗自身免疫和抗高胆固醇血症的药物。
• Metabolomic profiling of prostate cancer
  申请人：The Regents of the University of Michigan

  公开号：EP2597464A2

  公开（公告）日：2013-05-29

  The present invention relates to cancer markers. In particular, the present invention provides metabolites that are differentially present in prostate cancer. The present invention further provides diagnostic, research, and therapeutic applications targeting cancer specific metabolites.

  本发明涉及癌症标记物。特别是，本发明提供了在前列腺癌中不同程度存在的代谢物。本发明进一步提供了针对癌症特定代谢物的诊断、研究和治疗应用。
• TRYPTOPHAN AS A BIOMARKERS FOR KIDNEY FUNCTION AND METHODS USING THE SAME
  申请人：Metabolon, Inc.

  公开号：EP3410115A1

  公开（公告）日：2018-12-05

  Biomarkers of kidney function and methods for using said biomarkers for assessing kidney function, monitoring kidney function, diagnosing acute kidney injury, and diagnosing chronic kidney disease are provided. Also provided are suites of small molecule entities as biomarkers for chronic kidney disease.

  本研究提供了肾功能生物标志物以及使用上述生物标志物评估肾功能、监测肾功能、诊断急性肾损伤和诊断慢性肾病的方法。此外，还提供了作为慢性肾病生物标志物的小分子实体套件。
• METHOD FOR THE ASSESSMENT OF NAFLD
  申请人：metanomics Health GmbH

  公开号：EP3502703A1

  公开（公告）日：2019-06-26

  The present invention relates to a method for assessing non-alcoholic fatty liver disease (NAFLD) comprising determining in a sample from a subject suffering from NAFLD at least the amounts of two metabolite biomarkers, wherein said two metabolite biomarkers are: (i) at least one eicosatrienoic acid metabolite biomarker and (ii) at least one androgen metabolite biomarker and/or at least one bile acid metabolite biomarker. Further, the present invention relates to the vitro use of the two metabolite biomarkers for assessing non-alcoholic fatty liver disease (NAFLD).

  本发明涉及一种评估非酒精性脂肪肝（NAFLD）的方法，该方法包括测定非酒精性脂肪肝患者样本中至少两种代谢物生物标志物的含量，其中所述两种代谢物生物标志物是：(i) 至少一种二十碳三烯酸代谢物生物标志物；(ii) 至少一种雄激素代谢物生物标志物和/或至少一种胆汁酸代谢物生物标志物：(i) 至少一种二十碳三烯酸代谢物生物标志物和 (ii) 至少一种雄性激素代谢物生物标志物和/或至少一种胆汁酸代谢物生物标志物。此外，本发明还涉及体外使用这两种代谢物生物标志物评估非酒精性脂肪肝（NAFLD）。