尼伐可醇 | 24358-76-7

• 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: 尼伐可醇
• 英文名称: nivazol
• 英文别名: nivacortol；(1S,2R,13R,14S,17R,18S)-17-ethynyl-7-(4-fluorophenyl)-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9-trien-17-ol
• CAS: 24358-76-7
• 化学式: C₂₈H₃₁FN₂O
• 分子量: 430.565
• InChiKey: ZQLOAGFNRKBEAJ-BDPSOKNUSA-N

物化性质

• 沸点：
  551.1±50.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  尼伐可醇 在 4,4'-二氨基二苯乙烯-2,2'-二磺酸 作用下， 以 二氯甲烷 为溶剂， 以38%的产率得到(17β)-17-Fluoro-2'-(4-fluorophenyl)-2'H-pregna-2,4-dien-20-yno<3,2-c>pyrazole
  参考文献：
  名称：

  Reaction of Steroidal 17-Acetylenic Alcohols with Diethylamidosulfur Trifluoride and the Structural Assignments of 17-Fluorosteroids

  摘要：

  Reaction of diethylamidosulfur trifluoride (DAST) with C-17 tertiary alcohols of A-ring-fused steroids, such as Danazol(1), did not furnish the stereochemically coveted C-17 beta-fluoro derivatives. The C-17 alpha-fluoro compounds were isolated as the predominant component of the reaction mixture along with the rearrangement and elimination products. It is postulated that the attack of fluoride ion to the intermediary carbonium ion occurs from the least hindered side of the steroid to provide only the a-fluoro derivatives. The formation of rearrangement and elimination products supports the proposed mechanism for the DAST reaction. Reaction products are definitively characterized by one- and two-dimensional (1D and 2D) NMR methods.

  DOI：

  10.1021/jo00119a042

文献信息

• [EN] PRODRUG COMPOSITIONS AND METHODS OF TREATMENT<br/>[FR] COMPOSITIONS DE PROMÉDICAMENT ET PROCÉDÉS DE TRAITEMENT
  申请人：AQUESTIVE THERAPEUTICS INC

  公开号：WO2021087359A1

  公开（公告）日：2021-05-06

  Pharmaceutical compositions include a prodrug of epinephrine are described.

  药物组合物包括表述的肾上腺素前药。
• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• [EN] DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF<br/>[FR] LIQUIDES IONIQUES À DOUBLE FONCTION ET SELS DE CEUX-CI
  申请人：UNIV ALABAMA

  公开号：WO2010078300A1

  公开（公告）日：2010-07-08

  Disclosed herein are ionic liquid compositions comprising active pharmaceutical, biological, and nutritional compounds, and methods of use. Further disclosed are compositions of matter including liquid ion pairs alone or in solution and their use; compositions of ionic liquids that are 'solvated,' for example, 'hydrated' and their uses.

  本文揭示了包括活性药物、生物学和营养化合物的离子液体组合物，以及其使用方法。进一步揭示了包括液态离子对的物质组合物，单独或溶解后使用；以及离子液体的“溶剂化”组合物，例如“水合”的组合物及其用途。
• Antipyretic compositions and methods
  申请人：Basile Anthony

  公开号：US20060100263A1

  公开（公告）日：2006-05-11

  Methods and compositions containing bicifadine are provided for the treatment and prevention of hyperthermia in mammalian subjects. The methods and compositions may be used to prevent or treat fever, pyresis, menopausal hot flashes; peri menopausal hot flashes, postmenopausal hot flashes, hot flashes caused by anti-estrogen therapy, hot flashes secondary to surgical removal of estrogen producing tissue, hot flashes caused by radiation therapy, malignant hyperthermia, serotonin syndrome, heat stroke, febrile seizures, and neuroleptic malignant syndrome, among other conditions. Additional compositions and methods are provided employing bicifadine to treat pyresis and simultaneously elicit an analgesic response in mammalian subjects. Yet additional compositions and methods are provided which employ bicifadine in combination with a second antipyretic agent, a second analgesic agent, or a different therapeutic agent to yield more effective antipyretic treatment tools, and/or dual activity therapeutic methods and formulations useful to prevent or reduce hyperthermia and one or more additional symptoms (e.g., pain, or depression) in mammalian subjects.

  提供了含有比西法丁的方法和组合物，用于治疗和预防哺乳动物主体的高热症。这些方法和组合物可用于预防或治疗发热、热症、绝经期潮热；围绝经期潮热、绝经后潮热、抗雌激素治疗引起的潮热、手术切除雌激素产生组织引起的潮热、放射治疗引起的潮热、恶性高热、血清素综合征、中暑、发热性抽搐以及其他症状。还提供了使用比西法丁治疗热症并同时引发哺乳动物主体镇痛反应的其他组合物和方法。此外，提供了使用比西法丁与第二种退热药物、第二种镇痛药物或不同的治疗药物结合以获得更有效的退热治疗工具，和/或用于预防或减轻哺乳动物主体的高热和一个或多个额外症状（如疼痛或抑郁）的双重活性治疗方法和配方。