(3-羟基-10,13-二甲基-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊并[a]菲-17-基)苯甲酸酯 | 1175-12-8

• 物质功能分类: 医药中间体 - 原料药中间体
• 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: (3-羟基-10,13-二甲基-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊并[a]菲-17-基)苯甲酸酯
• 中文别名: 5-雄甾烯-3β,17β-二醇-17-苯甲酸
• 英文名称: androstenediol-17-benzoate
• 英文别名: 3β-hydroxyandrost-5-en-17β-yl benzoate；17β-(benzoyloxy)androst-5-en-3β-ol；17β-benzoyloxy-androst-5-en-3β-ol；Benzoesaeure-(3β-hydroxy-androsten-(5)-yl-(17β)-ester)；17β-benzoyloxy-5-androsten-3β-ol；Androst-5-en-3β,17β-diol-17-benzoat；Androstenediol 17-benzoate；[(3S,8R,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate
• CAS: 1175-12-8
• 化学式: C₂₆H₃₄O₃
• 分子量: 394.554
• InChiKey: BGSWILYBWIQYKQ-DRKCKIEBSA-N

物化性质

• 熔点：
  214-215 °C
• 沸点：
  518.6±43.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (3-羟基-10,13-二甲基-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊并[a]菲-17-基)苯甲酸酯 在 chromium(VI) oxide 作用下， 生成 17β-benzoyloxy-androst-5-en-3-one
  参考文献：
  名称：

  Notes - The Direct Conversion of Steroidal Δ⁵-3β-Alcohols to Δ⁵- and Δ⁴-3-Ketones

  摘要：

  DOI：

  10.1021/jo01118a627
• 作为产物：
  描述：

  醋酸去氢表雄酮 在 氢氧化钾 、 乙醇 、 镍 作用下， 生成 (3-羟基-10,13-二甲基-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊并[a]菲-17-基)苯甲酸酯
  参考文献：
  名称：

  性激素VIII。达斯特·冯·睾丸激素研究中心

  摘要：

  DOI：

  10.1002/hlca.193501801201

文献信息

• Microbiological degradation of sterol side chains to a 17-keto group
  申请人：Schering Aktiengellschaft

  公开号：US04179336A1

  公开（公告）日：1979-12-18

  The side chains of sterols are degraded by fermentation with microorganisms capable of doing so in an improved manner by employing in such fermentations sterol derivatives of the formula ##STR1## wherein n is 1 or 2; R.sub.1 is H or lower alkyl, R.sub.2 is alkyl, whose chain optionally is interrupted by an oxygen atom, or when n is 2, also a hydrogen atom; and R.sub.3 is a sterol side chain.

  甾醇的侧链通过利用具有这种能力的微生物进行发酵降解，通过在这种发酵中使用具有以下结构的甾醇衍生物来改进这种方法：其中n为1或2；R.sub.1为H或较低的烷基，R.sub.2为烷基，其链条可以被氧原子中断，或者当n为2时，也可以是氢原子；R.sub.3为甾醇侧链。
• 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。
• Preparation of steroid haloformate esters.
  作者：SUSUMU NAKANISHI、ELWOOD V. JENSEN

  DOI：10.1248/cpb.25.3398

  日期：——

  Steroid alcohols are converted to their chloroformate esters by reaction with phosgene in the presence of a base. Replacement of chlorine by fluorine takes place smoothly by treatment with anhydrous thallous fluoride in ethylene glycol dimethyl ether. Significant shifts in the positions of both infrared spectra-carbonyl and carbon-oxygen single bond absorption frequency due to the fluorine are discussed.

  类固醇醇通过与氯化亚磷的反应，在碱的存在下转换为其氯仿酸酯。用无水氟化铊在二甲基乙二醇醚中处理后，氯被氟顺利替换。讨论了由于氟的存在，红外光谱中羰基和碳-氧单键吸收频率位置的显著变化。
• 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。