(17beta)-17-羟基-17-甲基雌甾-4,9-二烯-3-酮 | 14531-89-6

• 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
• 中文名称: (17beta)-17-羟基-17-甲基雌甾-4,9-二烯-3-酮
• 中文别名: 17Α-甲基-17Β-羟基雌-4,9(10)-二烯-3-酮
• 英文名称: methyldienolone
• 英文别名: (8S,13S,14S,17S)-17-hydroxy-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
• CAS: 14531-89-6
• 化学式: C₁₉H₂₆O₂
• 分子量: 286.414
• InChiKey: RDJBOAMEIJEKEY-XWSJACJDSA-N

物化性质

• 熔点：
  104-106 °C
• 沸点：
  464.3±45.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (17beta)-17-羟基-17-甲基雌甾-4,9-二烯-3-酮 在 水 作用下， 以 甲醇 为溶剂， 生成 methyldienolol
  参考文献：
  名称：

  药物类固醇的水性光解过程中的生物活性重排产品。

  摘要：

  在研究内分泌活性类固醇激素的环境命运的持续努力中，我们报告了二烯诺孕酮的水性光解后，形成具有新型6,5,8,5-环系统的酚类重排产物（3和4）。和甲基二烯酮（2）。通过分析2D NMR和HRMS数据建立结构，并通过X射线衍射分析确定3的结构。这些光产物显示出孕激素和雄激素活性，尽管效力比其母体化合物低。

  DOI：

  10.1021/acs.orglett.9b00972

文献信息

• FLUORESCENCE BASED DETECTION OF SUBSTANCES
  申请人：Russell David

  公开号：US20090230322A1

  公开（公告）日：2009-09-17

  A method for the fluorescent detection of a substance, the method comprising providing particles comprising a metal or a metal oxide core, wherein one or more optionally fluorescently tagged antibodies or human specific peptide nucleic acid (PNA) oligomers for binding to a substance is/are bound, directly or indirectly, to the surface of the metal or metal oxide; contacting a substrate, which may or may not have the substance on its surface, with the particles for a time sufficient to allow the antibody/PNA oligomer to bind with the substance; removing those particles which have not bound to the substrate; if the antibodies or PNA oligomers are not fluorescently tagged, contacting the substrate with one or more fluorophores that selectively bind with the antibody and/or substance, then optionally washing the substrate to remove unbound fluorophores; and illuminating the substrate with appropriate radiation to show the fluorophores on the substrate.

  一种用于荧光检测物质的方法，该方法包括提供含有金属或金属氧化核的颗粒，其中一种或多种可选择性地荧光标记的抗体或人特异性肽核酸（PNA）寡聚体，用于结合到物质上，直接或间接地结合到金属或金属氧化物的表面；将可能在其表面具有或不具有该物质的基质与这些颗粒接触一段时间，以充分允许抗体/PNA寡聚体与该物质结合；移除那些未与基质结合的颗粒；如果抗体或PNA寡聚体未被荧光标记，则将基质与一种或多种能特异性结合抗体和/或物质的荧光剂接触，然后可选择地清洗基质以去除未结合的荧光剂；并用适当的辐射照射基质以显示基质上的荧光剂。
• IMPROVED METHODS OF AND COMPOSITIONS FOR THE PREVENTION OF ANXIETY, SUBSTANCE ABUSE, AND DEPENDENCE
  申请人：Hythiam, Inc.

  公开号：EP1868593A2

  公开（公告）日：2007-12-26
• SAMPLE ANALYSING DEVICE
  申请人：Intelligent Fingerprinting Limited

  公开号：EP3172566B1

  公开（公告）日：2019-10-16
• PHARMACEUTICAL COMPOSITIONS HAVING NOVEL SCORING PATTERNS AND METHODS OF USING THOSE COMPOSITIONS
  申请人：Solomon Lawrence

  公开号：US20080075772A1

  公开（公告）日：2008-03-27

  The invention provides novel scoring patterns for a wide variety of tablets that contain specific drugs or contain drugs in certain drug classes, and methods of treatment with layered tablets and fractional tablets derived from breaking said tablets.
• Methods of and Compositions For the Prevention of Anxiety, Substance Abuse, and Dependence
  申请人：Sabnani Sanjay

  公开号：US20080207601A1

  公开（公告）日：2008-08-28

  Compositions for reducing dependency and addiction to substances of abuse are provided. Chloride channels such as the GABA A receptors are altered under conditions of dependency and withdrawal such that the electrophysiological properties of the GABA A receptor containing neurons are altered thereby providing a pathophysiological condition resulting in symptoms of dependency and withdrawal such as anxiety. Specifically, under conditions of withdrawal the relative ratio of the a1 receptor subunit decreases relative to the a4 receptor subunit. Endogenous neurosteroid production is also associated with the molecular changes underlying the alterations of GABA-gated chloride channels. Compositions of at least two compounds including at least one inhibitor of neurosteroid production are useful for treating the pathophysiology of addiction, dependency and substance abuse withdrawal.