3β,5α-Tetrahydro Reichstein's Substance S | 516-47-2

• 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: 3β,5α-Tetrahydro Reichstein's Substance S
• 英文别名: 5α-pregnan-3β,17α,21-triol-20-one；(3β,5α)-3,17,21-trihydroxypregnan-20-one；3β,17,21-trihydroxy-5α-pregnan-20-one；3β,17,21-Trihydroxy-5α-pregnan-20-on；3β.17.21-Trihydroxy-5α-pregnanon-(20)；Allopregnane-3beta,17alpha,21-triol-20-one；1-[(3S,5S,8R,9S,10S,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone
• CAS: 516-47-2
• 化学式: C₂₁H₃₄O₄
• 分子量: 350.499
• InChiKey: UPTAPIKFKZGAGM-NWIHUDFTSA-N

物化性质

• 比旋光度：
  D20 +48.0° (c = 0.938 in abs ethanol)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3β,5α-Tetrahydro Reichstein's Substance S 在 甲醇 、 硫酸 、 过碘酸 作用下， 生成 3β.17-dihydroxy-21-nor-5α.17βH-pregnanoic acid-(20)
  参考文献：
  名称：

  Age-Related Variations of Elements as Compared Among Optic, Radial, and Sciatic Nerves

  摘要：

  To elucidate changes of peripheral nerves with aging, the authors studied age-related changes of element contents in the optic, radial, and sciatic nerves by inductively coupled plasma-atomic emission spectrometry. The subjects consisted of seven men and seven women, ranging in age from 61 to 97 yr. The contents of phosphorus and sulfur remained constant through ages 61 to 97 yr in three nerves, the optic, radial, and sciatic nerves. It was found that there were age-related differences in calcium content among the optic, radial, and sciatic nerves: The calcium content of the optic nerve increased progressively with aging; in the radial nerve, it was hardly changed with aging; in contrast, the calcium content of the sciatic nerve decreased gradually with aging. In addition, it was found that in the radial nerve there were moderate correlations between age and zinc or sodium content, whereas significant correlations between age and the content of silicon or iron were found in the sciatic nerve. Furthermore, there was a correlation between the silicon and iron contents in the sciatic nerves.

  DOI：

  10.1385/bter:77:2:119
• 作为产物：
  描述：

  脱氧可的松 生成 3β,5α-Tetrahydro Reichstein's Substance S
  参考文献：
  名称：

  Forchielli et al., Journal of Biological Chemistry, 1955, vol. 215, p. 713,717

  摘要：

  DOI：

文献信息

• A convenient synthesis of the side chain of loteprednol etabonate—An ocular soft corticosteroid from 20-oxopregnanes using metal-mediated halogenation as a key reaction
  作者：Pritish Chowdhury、Juri Moni Borah、Papori Goswami、Archana Moni Das

  DOI：10.1016/j.steroids.2011.01.006

  日期：2011.4

  A facile synthesis of the side chain of loteprednol etabonate, namely, chloromethyl-17α-[(ethoxycarbonyl))oxy]-11β-hydro of loteprednol etabonate, viz., chloromethyl-17α-[(ethoxycarbonyl))oxy]-11xy-3-oxoandrosta-1,4-diene-17β-carboxylate--an ocular soft corticosteroid, has been described starting from a 20-oxopregnane, namely, 3β-acetoxy-pregn-5(6),16(17)-diene-20-one (16-dehydropregnenolone acetate

  氯替泼诺依碳酸氯替泼诺侧链的简便合成，即氯代甲基-17α-[(乙氧羰基))氧基]-11β-氢氯替泼诺依碳酸氯代甲基-17α-[(乙氧羰基))氧基]-11xy-3 -oxoandrosta-1,4-diene-17β-carboxylate--一种眼用软皮质类固醇，已被描述为从 20-oxopregane 开始，即 3β-acetoxy-pregn-5(6),16(17)-diene-20 -one（16-脱氢孕烯醇酮醋酸酯，即 16-DPA）使用我们最近开发的金属介导的卤化作为关键反应。
• 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。