11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid

• 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: 11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
• 英文别名: 11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid
• 化学式: C₂₀H₂₈O₄
• 分子量: 332.4
• InChiKey: XEFVQCSDIKHROY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid 、 甲醇 、 三甲基硅烷化重氮甲烷 在 silica gel 、 ethyl acetate hexanes 作用下， 以 甲苯 为溶剂， 以to give 11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester as a white solid (718 mg)的产率得到11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid methyl ester
  参考文献：
  名称：

  NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION

  摘要：

  本发明提供了11β-羟基类固醇的新化合物、组合物及其作为药物的应用，用于预防或逆转线粒体损伤，治疗或预防与线粒体功能失调或耗竭有关的疾病，并诱导线粒体再生或重构作为治疗人或动物主体中线粒体结构和功能异常相关疾病的手段。本文还公开了诊断线粒体损伤和诊断治疗、预防或逆转线粒体损伤或耗竭的治疗剂成功或失败的方法。

  公开号：

  US20150376225A1
• 作为产物：
  描述：

  肾上腺酮 、 甲醇 、 在 水 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 0.5h， 以to give 11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid as a white solid (960 mg)的产率得到11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
  参考文献：
  名称：

  NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION

  摘要：

  本发明提供了11β-羟基类固醇的新化合物、组合物及其作为药物的应用，用于预防或逆转线粒体损伤，治疗或预防与线粒体功能失调或耗竭有关的疾病，并诱导线粒体再生或重构作为治疗人或动物主体中线粒体结构和功能异常相关疾病的手段。本文还公开了诊断线粒体损伤和诊断治疗、预防或逆转线粒体损伤或耗竭的治疗剂成功或失败的方法。

  公开号：

  US20150376225A1

文献信息

• 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION
  申请人：Sphaera Pharma Pvt. Ltd.

  公开号：EP3309166A2

  公开（公告）日：2018-04-18

  The present invention provides novel compounds of 11β-hydroxy steroids and compositions and their application as pharmaceuticals for preventing or reversing injury to mitochondria, for treating or preventing diseases relating to mitochondrial dysfunction or depletion, and for inducing regeneration or restructuring of mitochondria as a means of treating diseases relating to abnormalities in mitochondrial structure and function in a human or animal subject. Also disclosed herein are methods for diagnosing injury to mitochondria and for diagnosing the success or failure of therapeutics designed to treat, prevent, or reverse injury to or depletion of mitochondria.

  本发明提供了11β-羟基类固醇的新型化合物和组合物及其作为药物的应用，用于预防或逆转对线粒体的损伤，治疗或预防与线粒体功能障碍或耗竭有关的疾病，以及诱导线粒体的再生或重组，作为治疗与人或动物体内线粒体结构和功能异常有关的疾病的一种手段。本文还公开了诊断线粒体损伤和诊断旨在治疗、预防或逆转线粒体损伤或耗竭的疗法成败的方法。
• HYDROXYSTEROID COMPOUNDS, THEIR INTERMEDIATES, PROCESS OF PREPARATION, COMPOSITION AND USES THEREOF
  申请人：Sphaera Pharma Pvt. Ltd.

  公开号：EP3795578A2

  公开（公告）日：2021-03-24

  The present invention relates to novel steroidal compounds of formula (I), process for preparation of the same and composition comprising these compounds.

  本发明涉及新型的式 (I) 类固醇化合物、制备方法和包含这些化合物的组合物。
• Hydroxysteroid compounds, their intermediates, process of preparation, composition and uses thereof
  申请人：Epirium Bio Inc.

  公开号：US10618933B2

  公开（公告）日：2020-04-14

  The present invention relates to novel steroidal compounds of formula (I), process for preparation of the same and composition comprising these compounds.

  本发明涉及新型的式 (I) 类固醇化合物、制备方法和包含这些化合物的组合物。
• HIGHLY POTENT GLUCOCORTICOIDS
  申请人：Van Andel Research Institute

  公开号：EP3049089B1

  公开（公告）日：2019-08-21
• 11.BETA.-HYDROXYSTEROID-4-AZA-COMPOUNDS, COMPOSITIONS AND USES THEREOF
  申请人：Sphaera Pharma Pvt. Ltd.

  公开号：EP3171855B1

  公开（公告）日：2020-08-26