毛地黃苷 | 752-61-4

• 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: 毛地黃苷
• 英文名称: digitalin
• 英文别名: 3β-(O⁴-β-D-glucopyranosyl-O³-methyl-β-D-fucopyranosyloxy)-14,16β-dihydroxy-5β,14β-card-20(22)-enolide；3β-(O⁴-β-D-Glucopyranosyl-O³-methyl-β-D-fucopyranosyloxy)-14,16β-dihydroxy-5β,14β-card-20(22)-enolid；Digitalinum verum；3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
• CAS: 752-61-4
• 化学式: C₃₆H₅₆O₁₄
• 分子量: 712.832
• InChiKey: CKNOLMVLQUPVMU-YMMLYESFSA-N

物化性质

• 熔点：
  240-243°
• 比旋光度：
  D20 -1.1° (c = 0.894 in methanol)
• 沸点：
  629.38°C (rough estimate)
• 密度：
  1.1530 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  50
• 可旋转键数：
  7
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  214
• 氢给体数：
  7
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  盐酸 、 毛地黃苷 生成 3β-(O4(?)-β-D-glucopyranosyl-β-D-digitalopyranosyloxy)-5β-carda-14,16,20(22)-trienolide
  参考文献：
  名称：

  Sasakawa, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1959, vol. 79, p. 575,577

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 enzyme-substance from euhadra quaesita 作用下， 生成 毛地黃苷
  参考文献：
  名称：

  Okano, Chemical and pharmaceutical bulletin, 1958, vol. 6, p. 178,180

  摘要：

  DOI：

文献信息

• DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS
  申请人：ALTENBURGER Jean-Michel

  公开号：US20110294788A1

  公开（公告）日：2011-12-01

  The present invention relates to novel substituted dihydropyrazolone derivatives, to their preparation and to their therapeutic use as activators of the transcription factor HIF.

  本发明涉及新型取代二氢吡唑酮衍生物，其制备以及作为转录因子HIF激活剂的治疗用途。
• PRODRUG COMPOSITIONS, PRODRUG NANOPARTICLES, AND METHODS OF USE THEREOF
  申请人：Washington University

  公开号：US20160279060A1

  公开（公告）日：2016-09-29

  The present invention encompasses prodrug compositions, nanoparticles comprising one or more prodrugs, and methods of use thereof.

  本发明涵盖了前药组合物、包含一种或多种前药的纳米粒子，以及其使用方法。
• 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。
• Nitric Oxide Releasing Prodrugs of Therapeutic Agents
  申请人：SATYAM Apparao

  公开号：US20110263526A1

  公开（公告）日：2011-10-27

  The present invention relates to nitric oxide releasing prodrugs of known drugs or therapeutic agents which are represented herein as compounds of formula (I) wherein the drugs or therapeutic agents contain one or more functional groups independently selected from a carboxylic acid, an amino, a hydroxyl and a sulfhydryl group. The invention also relates to processes for the preparation of the nitric oxide releasing prodrugs (the compounds of formula (I)), to pharmaceutical compositions containing them and to methods of using the prodrugs.

  本发明涉及已知药物或治疗剂的一氧化氮释放前药，其在此处表示为式(I)的化合物，其中药物或治疗剂包含一个或多个功能基团，独立地选自羧酸、氨基、羟基和巯基。该发明还涉及制备一氧化氮释放前药（式(I)的化合物）的方法，含有它们的药物组合物以及使用这些前药的方法。
• Oral pharmaceutical compositions containing cyclodextrins as taste masking agent
  申请人：——

  公开号：US20040115258A1

  公开（公告）日：2004-06-17

  The application discloses oral pharmaceutical compositions which are tasted in the mouth during administration. Fast-dissolving tablets, chewable tablets and effervescent dispersions are exemplified. To mask the taste of unpleasant-tasting active ingredients, it has been found that blending with cyclodextrin without the conventional complex formation is effective. Consequently more economical modes of manufacture such as simple granulation and dry blending can be used.

  该申请揭示了口服制剂，其在给药过程中在口腔中被品尝。快速溶解片剂、可咀嚼片剂和泡腾分散剂是示例。为了掩盖令人不愉快的活性成分的味道，发现与β-环糊精混合而无需传统的复合形成是有效的。因此，可以使用更经济的制造方式，如简单的制粒和干混合。