(8S,9S,10R,11S,13S,14S,17S)-methyl 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-carboxylate | 10486-85-8

• 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: (8S,9S,10R,11S,13S,14S,17S)-methyl 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-carboxylate
• 英文别名: corticosterone；pl enter (8S,9S,10R,11S,13S,14 S,17S)-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；11β-hydroxy-3-oxo-21-nor-pregnen-(4)-oic acid-(20)-methyl ester；11β-Hydroxy-3-oxo-21-nor-pregnen-(4)-saeure-(20)-methylester；11β-Hydroxy-3-oxo-androsten-(4)-carbonsaeure-(17β)-methylester；methyl (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate
• CAS: 10486-85-8
• 化学式: C₂₁H₃₀O₄
• 分子量: 346.467
• InChiKey: QFKAWRBIGCQPKF-BJSXQCTJSA-N

物化性质

• 熔点：
  180-181 °C
• 沸点：
  481.0±45.0 °C(Predicted)
• 密度：
  1.18±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (8S,9S,10R,11S,13S,14S,17S)-methyl 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-carboxylate 在 sodium periodate 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 (8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-17-(3-methyl-1,2,4-oxadiazol-5-yl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3(2H)-one
  参考文献：
  名称：

  ミトコンドリア生合成ならびにミトコンドリア機能不全または欠乏に関連する疾患において使用するための１１β−ヒドロキシステロイドの新規の化合物

  摘要：

  这项发明提供了一种新的11β-羟基类固醇化合物和组合物，以及用于预防或逆转人类或动物体内线粒体损伤的药物，用于治疗或预防线粒体功能不全或缺乏相关疾病的药物，以及作为治疗线粒体结构和功能异常相关疾病的手段，诱导线粒体再生或重建的药物的应用。此外，本说明书揭示了一种诊断线粒体损伤的方法，以及一种诊断治疗药物成功或失败的方法，该治疗药物设计用于治疗线粒体损伤或缺乏、预防或逆转。【选择图】无

  公开号：

  JP2016505038A
• 作为产物：
  描述：

  皮质酮杂质1 在 重氮甲烷 、 甲醇 、 乙醚 作用下， 生成 (8S,9S,10R,11S,13S,14S,17S)-methyl 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-carboxylate
  参考文献：
  名称：

  关于肾上腺皮质成分及相关物质。（第74部分）。皮质类固醇的构型）

  摘要：

  DOI：

  10.1002/hlca.19470300124

文献信息

• NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION
  申请人：SPHAERA PHARMA PVTD. LTD.

  公开号：US20150376225A1

  公开（公告）日：2015-12-31

  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。
• 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。
• [EN] NOVEL COMPOUNDS OF 11BETA-HYDROXY-STEROIDS FOR USE IN MITOCHONDRIA BIOGENESIS AND DISEASES ASSOCIATED WITH MITOCHONDRIAL DYSFUNCTION OR DEPLETION<br/>[FR] NOUVEAUX COMPOSÉS DE 11BÊTA-HYDROXY-STÉROÏDES DESTINÉS À ÊTRE UTILISÉS UTILISATION DANS LA BIOGENÈSE DE MITOCHONDRIES ET LES MALADIES ASSOCIÉES AVEC LA DYSFONCTION OU LA DÉPLÉTION MITOCHONDRIALE
  申请人：SPHAERA PHARMA PRIVATE LTD

  公开号：WO2014115167A2

  公开（公告）日：2014-07-31

  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.