雄甾烯二醇-3-乙酸酯-17-苯甲酸酯 | 5953-63-9

• 物质功能分类: 天然产物 - 甾体化合物
• 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
• 中文名称: 雄甾烯二醇-3-乙酸酯-17-苯甲酸酯
• 英文名称: 3β-acetoxy-17β-benzoyloxy-androst-5-ene
• 英文别名: 3β-Acetoxy-17β-benzoyloxy-androst-5-en；3β-Acetoxy-17β-benzoyloxy-androsten-(5)；3β-Acetoxy-17β-benzoyloxy-Δ⁵-androsten；Androstenediol 3-acetate-17-benzoate；[(3S,8R,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate
• CAS: 5953-63-9
• 化学式: C₂₈H₃₆O₄
• mdl: MFCD00051132
• 分子量: 436.591
• InChiKey: JVRUDYNTKOCRNP-ARZCWHKOSA-N

物化性质

• 熔点：
  180-182°

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.642
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  雄甾烯二醇-3-乙酸酯-17-苯甲酸酯 在 chromium(VI) oxide 、 sodium hydroxide 、 乙醇 、 溶剂黄146 、 铂 作用下， 生成 雄诺龙
  参考文献：
  名称：

  聚萜烯和聚萜烯化物CXXI。布鲁托福尔和卢比索的脱水

  摘要：

  DOI：

  10.1002/hlca.193702001208
• 作为产物：
  描述：

  醋酸去氢表雄酮 在 吡啶 作用下， 生成 雄甾烯二醇-3-乙酸酯-17-苯甲酸酯
  参考文献：
  名称：

  DE763488

  摘要：

  公开号：

文献信息

• Hydroxylated nebivolol metabolites
  申请人：O'Donnell P. John

  公开号：US20070014733A1

  公开（公告）日：2007-01-18

  Hydroxylated nebivolol metabolites increase NO release from human endothelial cell preparations in a concentration dependent fashion following acute administration. In addition, hydroxylated nebivolol metabolites, including but not limited to 4-hydroxy-6,6′difluoro-, 4-hydroxy-5-phenol-6,6′difluoro-, and 4-hydroxy-8-pheno-6,6′difluoro-, have the ability to increase the capacity for NO release in human endothelial cells following chronic administration. This invention provides hydroxylated nebivolol metabolites and compositions comprising nebivolol and/or at least one hydroxylated metabolite of nebivolol and/or at least one additional compound used to treat cardiovascular diseases or a pharmaceutically acceptable salt thereof. In addition, this invention provides methods of treating and/or preventing vascular diseases by administering at least one hydroxylated metabolite of nebivolol that is capable of releasing a therapeutically effective amount of nitric oxide to a targeted site affected by the vascular disease. Also, this invention is directed to the treatment and/or prevention of migraine headaches administering at least one hydroxylated metabolite of nebivolol. This invention may also be used in conjunction with or as a single treatment of metabolic syndrome disorders.

  羟基化奈必洛尔代谢物在急性给药后以浓度依赖性方式增加人内皮细胞制剂的一氧化氮释放。此外，羟基化奈必洛尔代谢物，包括但不限于4-羟基-6,6'-二氟代-、4-羟基-5-苯酚-6,6'-二氟代-和4-羟基-8-苯并-6,6'-二氟代-，在慢性给药后能够增加人内皮细胞的一氧化氮释放能力。本发明提供了羟基化奈必洛尔代谢物和包含奈必洛尔和/或至少一种羟基化奈必洛尔代谢物和/或至少一种用于治疗心血管疾病的附加化合物的组合物，以及可药用的盐。此外，本发明还提供了通过给药至少一种能够释放治疗有效量的一氧化氮到受血管疾病影响的靶向部位的羟基化奈必洛尔代谢物来治疗和/或预防血管疾病的方法。本发明还涉及通过给药至少一种羟基化奈必洛尔代谢物来治疗和/或预防偏头痛。本发明还可以与治疗代谢综合征障碍的其他治疗联合使用，或作为单一治疗。
• Glucuronidated nebivolol metabolites
  申请人：O'Donnell P. John

  公开号：US20070014734A1

  公开（公告）日：2007-01-18

  This invention provides glucuronidated nebivolol metabolites and pharmaceutical compositions of glucuronidated nebivolol metabolites for treatment of cardiovascular diseases. In addition, this invention also provides compositions comprising nebivolol and/or at least one glucuronidated metabolite of nebivolol and/or at least one other active compound in a pharmaceutically acceptable carrier. This invention also provides methods of treating and/or preventing vascular diseases, by administering at least one glucuronidated metabolite of nebivolol that is capable of releasing a therapeutically effective amount of nitric oxide to a targeted site affected by the vascular disease. Also, this invention is directed to the treatment and/or prevention of migraine headaches administering at least one glucuronidated metabolite of nebivolol. This invention may also be used in conjunction with or as a single treatment of metabolic syndrome disorders.

  这项发明提供了葡萄糖醛酸化的尼布ivolol代谢物以及用于治疗心血管疾病的葡萄糖醛酸化的尼布ivolol代谢物的制药组合物。此外，该发明还提供了包含尼布ivolol和/或至少一种尼布ivolol的葡萄糖醛酸化代谢物和/或至少一种其他活性化合物的药用可接受载体的组合物。该发明还提供了通过向受影响血管疾病的靶位点投与至少一种能释放治疗有效量一氧化氮的尼布ivolol的葡萄糖醛酸化代谢物来治疗和/或预防血管疾病的方法。此外，该发明旨在通过投与至少一种尼布ivolol的葡萄糖醛酸化代谢物来治疗和/或预防偏头痛。该发明还可与代谢综合征紊乱的单一治疗或联合治疗一起使用。
• Ladder-Frame Polyether Conjugates
  申请人：Bourdelais Andrea

  公开号：US20120077778A1

  公开（公告）日：2012-03-29

  Disclosed are compounds that are conjugates of ladder frame polyether compounds and biologically active compounds or research compounds, pharmaceutical formulations comprising the conjugates, and methods of transporting the conjugates across biological membranes.

  揭示了梯架框架聚醚化合物和生物活性化合物或研究化合物的共轭物、包含这些共轭物的药物配方，以及将这些共轭物跨越生物膜的方法。
• Formulation of an erodible, gastric retentive oral dosage form using in vitro disintegration test data
  申请人：——

  公开号：US20030133985A1

  公开（公告）日：2003-07-17

  Erodible, gastric-retentive dosage forms are provided that are formulated using the in vitro drug release profile obtained with USP Disintegration test equipment rather the USP Dissolution Apparatus. The invention is premised on the discovery that the USP Disintegration Test and modified versions thereof are far more predictive of the in vivo release profile for a controlled release dosage form than is the standard USP Dissolution Test, particularly controlled release dosage forms of the swellable, erodible type. The dosage forms generally comprise particles of a biocompatible, hydrophilic polymer having the active agent incorporated therein, wherein the particles are optionally but preferably compacted into a tablet or loaded into a capsule. The dosage forms can be used to deliver water-insoluble or sparingly soluble drugs as well as water-soluble drugs, providing that the latter are coated with a protective coating or contained in a protective vesicle.

  提供可侵蚀的、胃滞留的剂型，其配方使用USP分散测试设备获得的体外药物释放剖面，而不是USP溶解器。该发明是基于发现，USP分散测试及其修改版本比标准的USP溶解测试更能预测可控释放剂型的体内释放剖面，特别是膨胀、侵蚀型的可控释放剂型。该剂型通常包括生物相容性、亲水性聚合物的颗粒，其中活性成分被纳入其中，颗粒可以选择但最好是压缩成片剂或装入胶囊。该剂型可用于输送水不溶性或难溶性药物，以及水溶性药物，前提是后者被涂上保护涂层或包含在保护小囊中。
• Formulation of an erodible, gastric retentive oral diuretic
  申请人：——

  公开号：US20030152622A1

  公开（公告）日：2003-08-14

  An erodible, gastric-retentive oral diuretic is provided that is formulated using the in vitro drug release profile obtained with USP Disintegration test equipment rather the USP Dissolution Apparatus. The invention is premised on the discovery that the USP Disintegration Test and modified versions thereof are far more predictive of the in vivo release profile for a controlled release dosage form than is the standard USP Dissolution Test, particularly controlled release dosage forms of the swellable, erodible type. The dosage forms generally comprise particles of a biocompatible, hydrophilic polymer having the active agent incorporated therein, wherein the particles are optionally but preferably compacted into a tablet or loaded into a capsule. The dosage forms can be used to deliver water-insoluble or sparingly soluble drugs as well as water-soluble drugs, providing that the latter are coated with a protective coating or contained in a protective vesicle. Using the controlled release dosage form, adverse side effects associated with peak diuresis are diminished or eliminated, while the overall diuretic effect of the drug is maintained.

  提供了一种可侵蚀、胃内停留的口服利尿剂，其配方使用了通过美国药典溶解试验设备获得的体外药物释放特性，而不是使用美国药典溶出仪。该发明基于发现，美国药典溶解试验及其修改版本远比标准的美国药典溶出试验更具预测性，特别是对于可膨胀、可侵蚀类型的控释剂型的体内释放特性。这些剂型通常包括含有活性成分的生物相容性、亲水性聚合物颗粒，其中这些颗粒可以选择性地但最好是被压制成片剂或装入胶囊中。这些剂型可用于输送水不溶性或难溶性药物以及水溶性药物，只要后者被覆盖有保护层或包含在保护泡囊中。使用控释剂型，可以减轻或消除与高峰利尿相关的不良副作用，同时保持药物的整体利尿效果。