5β-pregnane-3,20-dione | 128-23-4

• 物质功能分类: 有机原料 - 酮类化合物
• 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: 5β-pregnane-3,20-dione
• 英文别名: (5β)-pregnane-3,20-dione；5β-pregnan-3,20-dione；5β,17α-Pregnandion-3,20；5α-Pregnandion-(3,20)；5β-Pregnandion-(3,20)；5β-Pregnan-3,20-dion；(5R,10S,13S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
• CAS: 128-23-4
• 化学式: C₂₁H₃₂O₂
• 分子量: 316.484
• InChiKey: XMRPGKVKISIQBV-FVRZPNNJSA-N

物化性质

• 熔点：
  128℃
• 沸点：
  395.89°C (rough estimate)
• 密度：
  1.0382 (rough estimate)
• 溶解度：
  可溶于氯仿（少许）、乙酸乙酯（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  progesterone 在 钯 4-甲氧基吡啶 、 氢气 作用下， 以98.1%的产率得到5β-pregnane-3,20-dione
  参考文献：
  名称：

  Highly stereoselective hydrogenation of 3-oxo-4-ene and -1,4-diene steroids to 5.beta. compounds with palladium catalyst

  摘要：

  DOI：

  10.1021/jo01301a043

文献信息

• 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。
• [EN] ANTAGONISTS OF CB1 RECEPTOR.<br/>[FR] ANTAGONISTES DU RÉCEPTEUR CB1
  申请人：INST NAT SANTE RECH MED

  公开号：WO2012160006A1

  公开（公告）日：2012-11-29

  The invention relates to an antagonist of CB1 receptor for use in the treatment of a pathologic condition or disorder selected from the group consisting of bladder and gastrointestinal disorders; inflammatory diseases; cardiovascular diseases; nephropathies; glaucoma; spasticity; cancer; osteoporosis; metabolic disorders; obesity; addiction, dependence, abuse and relapse related disorders; psychiatric and neurological disorders; neurodegenerative disorders; autoimmune hepatitis and encephalitis; pain; reproductive disorders and skin inflammatory and fibrotic diseases.

  本发明涉及CB1受体拮抗剂，用于治疗以下病理状况或疾病的成员组：膀胱和胃肠道疾病；炎症性疾病；心血管疾病；肾病；青光眼；痉挛性疾病；癌症；骨质疏松；代谢性疾病；肥胖症；成瘾、依赖、滥用和复发相关疾病；精神和神经疾病；神经退行性疾病；自身免疫性肝炎和脑炎；疼痛；生殖系统疾病和皮肤炎性和纤维化疾病。
• STEROID ANALOGUES FOR NEUROPROTECTION
  申请人：Macnevin Christopher

  公开号：US20110263553A1

  公开（公告）日：2011-10-27

  Provided are steroid analogues functionalized with polar substituents at the C3 and/or C20 positions of the steroid ring system that exhibit improved water solubility. Also provided are pharmaceutical compositions comprising the steroid analogues and methods using the novel steroid analogues for the treatment and prevention of neurodegeneration in a patient following injury to the central nervous system.

  提供的是具有带极性取代基的类固醇类似物，这些取代基位于类固醇环系统的C3和/或C20位置，具有改善的水溶性。还提供了包含这些类固醇类似物的药物组合物，以及使用新型类固醇类似物治疗和预防中枢神经系统损伤后患者的神经退行性疾病的方法。
• Antagonists of CB1 receptor
  申请人：INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE)

  公开号：US10040816B2

  公开（公告）日：2018-08-07

  The invention relates to an antagonist of CB1 receptor for use in the treatment of a pathologic condition or disorder selected from the group consisting of bladder and gastrointestinal disorders; inflammatory diseases; cardiovascular diseases; nephropathies; glaucoma; spasticity; cancer; osteoporosis; metabolic disorders; obesity; addiction, dependence, abuse and relapse related disorders; psychiatric and neurological disorders; neurodegenerative disorders; autoimmune hepatitis and encephalitis; pain; reproductive disorders and skin inflammatory and fibrotic diseases.

  本发明涉及一种 CB1 受体拮抗剂，用于治疗选自以下组别的病理状况或紊乱：膀胱和胃肠道疾病；炎症性疾病；心血管疾病；肾病；青光眼；痉挛；癌症；骨质疏松症；代谢紊乱；肥胖；成瘾、依赖、滥用和复发相关紊乱；精神和神经紊乱；神经退行性疾病；自身免疫性肝炎；骨质疏松症；代谢紊乱；肥胖；成瘾、依赖、滥用和复发相关疾病；精神和神经系统疾病；神经退行性疾病；自身免疫性肝炎和脑炎；疼痛；生殖系统疾病以及皮肤炎症和纤维化疾病。
• Steroid analogues for neuroprotection
  申请人：Emory University

  公开号：US10716795B2

  公开（公告）日：2020-07-21

  Provided are steroid analogues functionalized with polar substituents at the C3 and/or C20 positions of the steroid ring system that exhibit improved water solubility. Also provided are pharmaceutical compositions comprising the steroid analogues and methods using the novel steroid analogues for the treatment and prevention of neurodegeneration in a patient following injury to the central nervous system.

  本发明提供了在类固醇环系统的 C3 和/或 C20 位上用极性取代基进行官能化的类固醇类似物，这些类固醇类似物具有更好的水溶性。还提供了包含这些类固醇类似物的药物组合物，以及使用这些新型类固醇类似物治疗和预防中枢神经系统损伤后患者神经变性的方法。