(20S)-17,20,21-三羟基孕甾-4-烯-3,11-二酮 | 566-38-1

• 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: (20S)-17,20,21-三羟基孕甾-4-烯-3,11-二酮
• 英文名称: 17α,20α,21-trihydroxy-pregn-4-ene-3,11-dione
• 英文别名: 4-pregnen-17α,20β,21-triol-3,11-dione；20α-hydroxycortisone；17,20α_F,21-trihydroxy-pregn-4-ene-3,11-dione；17,20α_F,21-Trihydroxy-pregn-4-en-3,11-dion；(20S)-17.20.21-Trihydroxy-pregnen-(4)-dion-(3.11)；17α,20α,21-Trihydroxy-3,11-dioxo-pregnen-(4)；(8S,9S,10R,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
• CAS: 566-38-1
• 化学式: C₂₁H₃₀O₅
• 分子量: 362.466
• InChiKey: XBIDABJJGYNJTK-VDUMFTQRSA-N

物化性质

• 熔点：
  193-194 °C
• 沸点：
  588.2±50.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  26
• 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：
  94.8
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  17,21-dihydroxy-pregn-4-ene-3,11,20-trione 生成 (20S)-17,20,21-三羟基孕甾-4-烯-3,11-二酮
  参考文献：
  名称：

  Notes. Microbiological Transformation of Steroids. VI. Stereospecific Reductions of the 20-Carbonyl Group

  摘要：

  DOI：

  10.1021/jo01087a601

文献信息

• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• METHODS OF NEUROPROTECTION USING NEUROPROTECTIVE STEROIDS AND A VITAMIN D
  申请人：Stein Donald G.

  公开号：US20110306579A1

  公开（公告）日：2011-12-15

  Described herein are compositions and methods for treating or preventing nervous system injury. In particular, the methods and compositions relate to the use of at least one neuroprotective steroid, such as progesterone, and vitamin D.

  本文描述了用于治疗或预防神经系统损伤的组合物和方法。具体而言，这些方法和组合物涉及使用至少一种神经保护类固醇，如孕激素，和维生素D。
• HETERODIMER COMPOSITIONS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS
  申请人：Ripple Therapeutics Corporation

  公开号：US20210347809A1

  公开（公告）日：2021-11-11

  Described herein are processable compositions comprising at least one moiety that is processable in its free form. Also described herein are compositions and methods for the treatment of ocular diseases or disorders including glaucoma, blepharitis, ocular inflammation, diabetic macular edema, posterior inflammation, anterior inflammation, macular degeneration (e.g., wet macular degeneration (AMD) or dry AMD), post-cataract surgery, and retinal vein occlusion. Said compositions and methods comprise steroids and prostaglandins which demonstrate anti-inflammatory activity, intraocular pressure (IOP) lowering, and/or other desirable activities. Injection of said compositions in the eye provides therapeutic benefit to patients suffering from ocular disorders.

  本文描述了可加工的组合物，其中至少包含一个可在其自由形式下加工的成分。本文还描述了用于治疗眼部疾病或障碍的组合物和方法，包括青光眼、眼睑炎、眼部炎症、糖尿病性黄斑水肿、后部炎症、前部炎症、黄斑变性（如湿性黄斑变性（AMD）或干性AMD）、白内障手术后和视网膜静脉阻塞。所述组合物和方法包括表现出抗炎活性、降低眼内压力（IOP）和/或其他理想活性的类固醇和前列腺素。将所述组合物注射到眼中可为患有眼部障碍的患者提供治疗益处。
• Neuroactive steroid formulations and methods of treating CNS disorders
  申请人：Sage Therapeutics, Inc.

  公开号：US10322139B2

  公开（公告）日：2019-06-18

  Formulations of comprising a neuroactive steroid, e.g., allopregnanolone; and optionally a cyclodextrin, e.g., a β-cyclodextrin, e.g., a sulfo butyl ether β-cyclodextrin, e.g., a β-cyclodextrin, e.g., a sulfo butyl ether β-cyclodextrin, e.g., CAPTISOL®; and methods of use in treating CNS disorders.

  该配方包括一种神经活性类固醇，例如，孕酮醇；以及可选的环糊精，例如β-环糊精，例如磺酸丁基醚β-环糊精，例如β-环糊精，例如磺酸丁基醚β-环糊精，例如CAPTISOL®；以及在治疗中枢神经系统疾病方面的使用方法。
• Process for carrying out an enzymatic reaction
  申请人：Nederlandse Organisatie voor toegepast-natuurwetenschappelijk onderzoek TNO

  公开号：EP0068594A1

  公开（公告）日：1983-01-05

  The invention relates to a process for carrying out an enzymatic reaction in which an enzyme containing aqueous phase in the form of a gel, especially gel spheres, is contacted with a solution of a substrate in a water-immiscible solvent. Preferably, the gel is a non-cross-linked gelatin, agar. or alginate gel. One of the advantages of the process is that a complete enzyme system may be immobilized in the gellified aqueous phase.

  本发明涉及一种进行酶反应的工艺，在该工艺中，凝胶（尤其是凝胶球）形式的含酶水相与水不溶性溶剂中的底物溶液接触。 凝胶最好是非交联明胶、琼脂或海藻酸凝胶。该工艺的优点之一是可以将完整的酶系统固定在胶凝的水相中。