(5α,17β)-17,19-dimethoxyandrostan-3-ol | 1614227-65-4

• 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: (5α,17β)-17,19-dimethoxyandrostan-3-ol
• 英文别名: (3R,5S,8R,9S,10R,13S,14S,17S)-17-methoxy-10-(methoxymethyl)-13-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
• CAS: 1614227-65-4
• 化学式: C₂₁H₃₆O₃
• 分子量: 336.515
• InChiKey: MWCFBMVARBMSHP-OCHQKFOUSA-N

物化性质

• 沸点：
  425.3±10.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (5α)-19-[[(dimethylethyl)dimethylsilyl]oxy]-androstane-3,17-dione 在 sodium tetrahydroborate 、 乙醇 、 四丁基氟化铵 、 水 、 4-甲基苯磺酸吡啶 、 sodium hydride 、 potassium tri-sec-butyl-borohydride 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 丙酮 、 mineral oil 、 苯 为溶剂， 反应 46.0h， 生成 (5α,17β)-17,19-dimethoxyandrostan-3-ol
  参考文献：
  名称：

  [EN] NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME
  [FR] STÉROÏDES NEUROACTIFS 19-ALCOXY-17-SUBSTITUÉS, PROMÉDICAMENTS ASSOCIÉS ET MÉTHODES DE TRAITEMENT LES UTILISANT

  摘要：

  本公开涉及神经活性19-烷氧基-17-取代类固醇，以及其药学上可接受的盐，用于例如麻醉和/或治疗与GABA功能和活性相关的疾病。本公开进一步涉及包含这些化合物的制药组合物。

  公开号：

  WO2014100228A1

文献信息

• NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, PRODRUGS THEREOF, AND METHODS OF TREATMENT USING SAME
  申请人：Sage Therapeutics, Inc.

  公开号：US20140235600A1

  公开（公告）日：2014-08-21

  The present disclosure is generally directed to neuroactive 19-alkoxy-17-substituted steroids as referenced herein, and pharmaceutically acceptable salts thereof, for use as, for example, an anesthetic, and/or in the treatment of disorders relating to GABA function and activity. The present disclosure is further directed to pharmaceutical compositions comprising such compounds.

  本公开涉及神经活性的19-烷氧基-17-取代类固醇，以及其药学上可接受的盐，例如用作麻醉剂和/或治疗与GABA功能和活性有关的疾病。本公开还涉及包含这些化合物的制药组合物。
• Neuroactive 19-alkoxy-17-substituted steroids, prodrugs thereof, and methods of treatment using same
  申请人：Washington University

  公开号：US10342809B2

  公开（公告）日：2019-07-09

  The present disclosure is generally directed to neuroactive 19-alkoxy-17-substituted steroids as referenced herein, and pharmaceutically acceptable salts thereof, for use as, for example, an anesthetic, and/or in the treatment of disorders relating to GABA function and activity. The present disclosure is further directed to pharmaceutical compositions comprising such compounds.

  本公开总体上涉及本文提及的神经活性 19-烷氧基-17-取代类固醇及其药学上可接受的盐类，用于例如麻醉剂和/或治疗与 GABA 功能和活性有关的疾病。本公开进一步涉及包含此类化合物的药物组合物。
• Neuroactive steroids, compositions, and uses thereof
  申请人：Sage Therapeutics, Inc.

  公开号：US10940156B2

  公开（公告）日：2021-03-09

  Described herein are methods of treating a disorder, e.g., tremor, e.g., essential tremor; depression, e.g., postpostum depression; and anxiety disorder, the method comprising administering to a human subject suffering from a disorder, e.g., tremor, e.g., essential tremor; depression, e.g., postpostum depression, an anxiety disorder with a neuroactive steroid or a composition comprising a neuroactive steroid (e.g., pregnanolone, allopregnanolone, alphadalone, ganaxolone, or alphaxolone).

  本文描述了治疗疾病的方法，例如震颤，如本质性震颤；抑郁，如产后抑郁；以及焦虑症，该方法包括对患有疾病的人类受试者施用神经活性类固醇或包含神经活性类固醇（如孕酮）的组合物、神经活性类固醇或包含神经活性类固醇（如孕烯醇酮、异孕烯醇酮、阿法他酮、加那梭龙或阿法梭龙）的组合物。
• NEUROACTIVE 19-ALKOXY-17-SUBSTITUTED STEROIDS, USEFUL IN METHODS OF TREATMENT
  申请人：Washington University

  公开号：EP2935307B1

  公开（公告）日：2018-04-25
• NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF
  申请人：Sage Therapeutics, Inc.

  公开号：US20200171049A1

  公开（公告）日：2020-06-04

  Described herein are methods of treating a disorder, e.g., tremor, e.g., essential tremor; depression, e.g., postpostum depression; and anxiety disorder, the method comprising administering to a human subject suffering from a disorder, e.g., tremor, e.g., essential tremor; depression, e.g., postpostum depression, an anxiety disorder with a neuroactive steroid or a composition comprising a neuroactive steroid (e.g., pregnanolone, allopregnanolone, alphadalone, ganaxolone, or alphaxolone).