别孕甾烷-3beta,21-二醇-11,20-二酮 | 566-02-9

• 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: 别孕甾烷-3beta,21-二醇-11,20-二酮
• 英文名称: (3β,5α)-3,21-dihydroxypregnane-11,20-dione
• 英文别名: 3β,21-dihydroxy-5α-pregnane-11,20-dione；3β,21-Dihydroxy-5α-pregnan-11,20-dion；3β.21-Dihydroxy-5α-pregnandion-(11.20)；(3β,5α)-3,21-dihydroxy-pregnane-11,20-dione；Allopregnane-3beta,21-diol-11,20-dione；(3S,5S,8S,9S,10S,13S,14S,17S)-3-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
• CAS: 566-02-9
• 化学式: C₂₁H₃₂O₄
• 分子量: 348.483
• InChiKey: XWYBFXIUISNTQG-KMNUWYNSSA-N

物化性质

• 熔点：
  189-191°
• 比旋光度：
  D19 +93.8° (c = 1.4 in abs ethanol)
• 沸点：
  508.5±50.0 °C(Predicted)
• 密度：
  1.175±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 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：

  别孕甾烷-3beta,21-二醇-11,20-二酮 在 potassium dichromate 、 硫酸 、 过碘酸 、 丙酮 作用下， 生成 (+)-3,11-dioxo-5α-androstanecarboxylic acid
  参考文献：
  名称：

  Behavioural observations of interactions in a free-ranging lynxLynx lynx family at kills

  摘要：

  The behaviour of a free-ranging female lynx Lynx lynx Linnaeus, 1758 and her kittens at 12 different kills was studied for 44 hours of observation from September 1996 to March 1997. The development of interactions at kills of a lynx family group showed the following pattern: until the end of September we often observed two lynx, usually both kittens, food from the kill at the same time. After the age of four months aggression between kittens was observed frequently, with the bigger kitten being dominant. From September the kittens were never again seen feeding together at the kill, However, we never observed fighting, and aggressive behaviour did not increase with the age of the, kittens. Whereas until December one of the kittens was always first at the kill, from January onwards it was mostly the adult female who ate first. She introduced her kittens to the home range of a neighbouring female where the family break-up occurred. The kittens were last seen together with their mother on 26 March. Dispersal seemed to be initiated by the female abandoning the kittens.

  DOI：

  10.1007/bf03192451
• 作为产物：
  描述：

  RU 18748 在 chromium(VI) oxide 、 盐酸 、 镍 、 溶剂黄146 、 苯甲醇 作用下， 生成 别孕甾烷-3beta,21-二醇-11,20-二酮
  参考文献：
  名称：

  Steroids. LXX.¹ Removal of the 17-Hydroxyl Group from 17α,21-Dihydroxy-20-ketopregnane Derivatives²

  摘要：

  DOI：

  10.1021/ja01626a060

文献信息

• 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。
• PREPARATION OF A COMPOSITION COMPRISING ALLOPREGNANOLONE AND SULFOBUTYLETHER-BETA-CYCLODEXTRIN
  申请人：Sage Therapeutics, Inc.

  公开号：EP3957309A1

  公开（公告）日：2022-02-23

  Described herein are methods of treating epilepsy or status epilepticus, e.g., convulsive status epilepticus, e.g., early status epilepticus, established status epilepticus, refractory status epilepticus, super-refractory status epilepticus, e.g., super-refractory generalized status epilepticus; non-convulsive status epilepticus, e.g., generalized status epilepticus, complex partial status epilepticus; generalized periodic epileptiform discharges; periodic lateralized epileptiform discharges; a seizure, e.g., acute repetitive seizures, cluster seizures, the method comprising administering to the subject a neuroactive steroid.

  本文描述的是治疗癫痫或癫痫状态的方法，例如，抽搐性癫痫状态，例如，早期癫痫状态，建立性癫痫状态，难治性癫痫状态，超级难治性癫痫状态，例如，超级难治性全身性癫痫状态；非抽搐性癫痫状态，例如、全身性周期性癫痫样放电；周期性侧向癫痫样放电；癫痫发作，如急性重复性癫痫发作、群集性癫痫发作，该方法包括向受试者施用神经活性类固醇。
• Glass formulations and uses thereof
  申请人：Ripple Therapeutics Corporation

  公开号：US10632075B2

  公开（公告）日：2020-04-28

  The disclosure features pharmaceutical compositions formed from prodrug dimers for the extended delivery of a drug and for the treatment of a disease or condition.

  本公开的特征是由原药二聚体形成的药物组合物，用于延长给药时间和治疗疾病或病症。
• 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。