雌甾-5-烯-3,17-二酮 | 19289-77-1

• 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: 雌甾-5-烯-3,17-二酮
• 英文名称: 3,17-Dioxo-19-nor-androst-5(6)-en
• 英文别名: 19-nor-5-androstenedione；Estr-5-ene-3,17-dione；(8R,9S,10R,13S,14S)-13-methyl-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
• CAS: 19289-77-1
• 化学式: C₁₈H₂₄O₂
• 分子量: 272.387
• InChiKey: WELNRNVZXWUOGT-QXUSFIETSA-N

物化性质

• 沸点：
  425.1±45.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

ADMET

毒理性

• 毒性总结

因为19-诺-5-雄烯二酮与其他受控制的合成类固醇在代谢上有相关性，它很可能会产生类似的负面健康影响，如肝脏、心脏和皮肤问题，激素失调，生长受阻以及如狂怒和抑郁等心理影响。

Because 19-Nor-5-androstenedione is metabolically related to other controlled anabolic steroids, it is likely to have similar adverse health effects such as liver, heart and skin problems, hormonal disruptions, stunted growth, and psychological effects such as rage and depression.

来源:DrugBank

反应信息

• 作为反应物：
  描述：

  雌甾-5-烯-3,17-二酮 在 2,6-二叔丁基-4-甲基苯酚 、 potassium tert-butylate 、 三甲基铝 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 3.17h， 生成
  参考文献：
  名称：

  [EN] OXYSTEROLS AND METHODS OF USE THEREOF
  [FR] OXYSTÉROLS ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  根据公式（I）提供化合物及其药学上可接受的盐，以及药物组合物；其中R2、R3、R4、R5和R6的定义如本文所述。本发明的化合物被认为对预防和治疗各种疾病条件有用。

  公开号：

  WO2018075699A1
• 作为产物：
  描述：

  19-去甲-4-雄烯二酮 在 potassium tert-butylate 作用下， 以 叔丁醇 为溶剂， 反应 1.92h， 生成 雌甾-5-烯-3,17-二酮
  参考文献：
  名称：

  [EN] OXYSTEROLS AND METHODS OF USE THEREOF
  [FR] OXYSTÉROLS ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  根据公式(A)提供化合物：以及药用可接受的盐和药物组合物；其中R1、R2、R3、R4、R5、R6和RG如本文所述定义。本发明的化合物被认为对预防和治疗多种疾病有用。

  公开号：

  WO2018075698A1

文献信息

• Sample depletion and enrichment to improve the quality of diagnostic test results
  申请人：Veravas, Inc.

  公开号：US10948484B2

  公开（公告）日：2021-03-16

  Magnetic and non-magnetic microparticle binding surfaces for the simple, cost-effective and automatable depletion of sample interferences within the assay blocking threshold and enrichment of biomarkers are provided, as are methods and compositions for their preparation and use. The binding surfaces may comprise non-magnetic, magnetic, paramagnetic, and superparamagnetic microparticles, or combinations thereof. The methods include methods for making microparticulate binding surfaces that consist of binders, binding partners, capture moieties, or combinations thereof for multi-functional sample depletion and enrichment. Specific examples employing antibodies or fragments thereof are provided, as well as strepavidin-coated microparticles and microparticles coupled with capture moieties such as immunoglobulins. Other examples couple ligands, enzymes, and proteins, or other biologicals, polymers and chemicals commonly used in the diagnostic test formulation or design. Further provided are binding surfaces consisting of a plurality of microparticles and methods for making them. Use of the methods and compositions in connection with the depletion and enrichment of a wide variety of interferences and biomarkers is provided, particularly for use in primary blood collection tubes, secondary transfer tubes and challenging sample types such as urine, saliva and stool.

  本研究提供了磁性和非磁性微粒子结合表面，可简单、经济、自动地去除检测阻断阈值内的样品干扰并富集生物标记物，同时还提供了制备和使用这些表面的方法和组合物。结合表面可包括非磁性、磁性、顺磁性和超顺磁性微颗粒或其组合。这些方法包括制作微颗粒结合表面的方法，这些结合表面由粘合剂、结合伙伴、捕获分子或其组合组成，用于多功能样品去污和富集。提供了采用抗体或其片段的具体实例，以及链霉亲和素涂层微颗粒和与免疫球蛋白等捕获分子耦合的微颗粒。其他例子还包括配体、酶和蛋白质，或诊断检测配方或设计中常用的其他生物、聚合物和化学品。此外，还提供了由多个微颗粒组成的结合表面及其制造方法。这些方法和组合物可用于去除和富集多种干扰物和生物标记物，尤其适用于初级采血管、二次转移管以及尿液、唾液和粪便等具有挑战性的样本类型。
• Oxysterols and methods of use thereof
  申请人：Sage Therapeutics, Inc.

  公开号：US11111266B2

  公开（公告）日：2021-09-07

  Compounds are provided according to Formula (A): and pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof; wherein R1, R2, R3, R4, R5, R6, and RG are as defined herein. Compounds of the present invention are contemplated useful for the prevention and treatment of a variety of conditions.

  根据式（A）提供化合物：及其药学上可接受的盐，以及其药物组合物；其中 R1、R2、R3、R4、R5、R6 和 RG 如本文所定义。本发明的化合物可用于预防和治疗多种疾病。
• 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
• BINDING SURFACES FOR AFFINITY ASSAYS
  申请人：Beckman Coulter, Inc.

  公开号：EP2069790A2

  公开（公告）日：2009-06-17
• Stable calibrators for immunoassays
  申请人：Gaibor E. Jose

  公开号：US20070141710A1

  公开（公告）日：2007-06-21

  Compositions, methods, and kits comprising calibrators with enhanced stability for immunoassays are provided. The compositions and kits of the invention comprise calibrators that have been linearized. They include calibrators that have been exposed, in a denatured state, to at least one ionic surface charge modifier, and they include calibrators that have been denatured in the presence of an ionic surface charge modifier. Ionic surface charge modifiers include, for example, sodium dodecyl sulfate. Methods for preparing calibrator preparations of enhanced stability, including methods that comprise exposing a calibrator preparation to an ionic surface charge modifier while the calibrator is in a denatured state, are provided. The compositions and kits include calibrators that are protein/polypeptide antigens and non-protein/polypeptide antigens and haptens. The compositions and kits include calibrator media for immunoassays prepared in accordance with the invention. Stabilized matrices for liquid immunoassays are also provided.