(3R,5S,8R,9S,10S,13S,14S,16S)-3,16-二羟基-10,13-二甲基-1,2,3,4,5,6,7,8,9,11,12,14,15,16-十四氢环戊烯并[a]菲-17-酮 | 66791-83-1

• 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: (3R,5S,8R,9S,10S,13S,14S,16S)-3,16-二羟基-10,13-二甲基-1,2,3,4,5,6,7,8,9,11,12,14,15,16-十四氢环戊烯并[a]菲-17-酮
• 英文名称: 16β,3α-dihydroxy-5α-androstan-17-one
• 英文别名: 16beta-Hydroxyandrosterone；(3R,5S,8R,9S,10S,13S,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
• CAS: 66791-83-1
• 化学式: C₁₉H₃₀O₃
• 分子量: 306.445
• InChiKey: HLQYTKUIIJTNHH-RWUIUEHLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• 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。
• Therapeutic treatment methods
  申请人：Harbor BioSciences, Inc.

  公开号：EP2298315A1

  公开（公告）日：2011-03-23

  The invention relates to the use of compounds to ameliorate or treat an condition such as a cystic fibrosis, neutropenia or other exemplified conditions. Exemplary compounds that can be used include 3β-hydroxy-17β-aminoandrost-5-ene, 3β-hydroxy-16α-fluoro-17β-aminoandrost-5-ene, 3α-hydroxy-16α-fluoro-17α-aminoandrost-5-ene, 3β-hydroxy-16β-fluoro-17β-aminoandrost-5-ene, 1α,3β-dihydroxy-4α-fluoroandrost-5-ene-17-one, 1α,3β,17β-trihydroxy-4α-fluoroandrost-5-ene, 1β,3β-dihydroxy-6α-bromoandrost-5-ene, 1α-fluoro-3β,12α-dihydroxyandrost-5-ene-17-one, 1α-fluoro-3β,4α-dihydroxyandrost-5-ene and 4α-fluoro-3β,6α,17β-trihydroxyandrostane.

  本发明涉及使用化合物来改善或治疗诸如囊性纤维化、中性粒细胞减少症或其他示例性疾病。可使用的示例化合物包括 3β-羟基-17β-氨基雄甾-5-烯、3β-羟基-16α-氟-17β-氨基雄甾-5-烯、3α-羟基-16α-氟-17α-氨基雄甾-5-烯、3β-羟基-16β-氟-17β-氨基雄甾-5-烯、1α,3β-二羟基-4α-氟-雄甾-5-烯-17-酮、1α,3β,17β-三羟基-4α-氟雄甾烷-5-烯、1β,3β-二羟基-6α-溴雄甾烷-5-烯、1α-氟-3β,12α-二羟基雄甾烷-5-烯-17-酮、1α-氟-3β,4α-二羟基雄甾烷-5-烯和 4α-氟-3β,6α,17β-三羟基雄甾烷。
• Assays for screening activity of modulators of members of the hydroxy steroid (17-beta) dehydrogenase (HSD17B) family
  申请人：Regeneron Pharmaceuticals, Inc.

  公开号：US11479802B2

  公开（公告）日：2022-10-25

  Screening methods as well as kits for identifying modulators of hydroxysteroid (17-beta) dehydrogenase (HSD17B) family member proteins, such as HSD17B13, are provided. The methods comprise screening molecules for their capacity to modulate the HSD17B family member protein, including inhibiting the HSD17B family member protein, as measured by substrate depletion, product concentration from the HSD17B family member protein substrate conversion or NADH concentration, levels of labeled substrate, luciferin light emission, or combinations thereof. Inhibitors of HSD17B family member proteins identified through the screening methods may be used to treat liver diseases, disorders, or conditions in which the HSD17B family member protein plays a role.

  本发明提供了用于鉴定羟基类固醇（17-beta）脱氢酶（HSD17B）家族成员蛋白（如 HSD17B13）调节剂的筛选方法和试剂盒。这些方法包括筛选分子，以确定其调节 HSD17B 家族成员蛋白的能力，包括抑制 HSD17B 家族成员蛋白的能力，通过底物耗竭、HSD17B 家族成员蛋白底物转化产物浓度或 NADH 浓度、标记底物水平、荧光素发光或其组合来测量。通过筛选方法鉴定的 HSD17B 家族成员蛋白的抑制剂可用于治疗 HSD17B 家族成员蛋白起作用的肝脏疾病、失调或病症。
• Pharmaceutical compositions and treatment methods-6
  申请人：——

  公开号：US20040220161A1

  公开（公告）日：2004-11-04

  The invention provides compositions comprising formula 1 steroids, e.g., 16&agr;-bromo-3&bgr;-hydroxy-5&agr;-androstan-17-one hemihydrate and one or more excipients, typically wherein the composition comprises less than about 3% water. The compositions are useful to make improved pharmaceutical formulations. The invention also provides methods of intermittent dosing of steroid compounds such as analogs of 16&agr;-bromo-3&bgr;-hydroxy-5&agr;-androstan-17-one and compositions useful in such dosing regimens. The invention further provides compositions and methods to inhibit pathogen (viral) replication, ameliorate symptoms associated with immune dysregulation and to modulate immune responses in a subject using certain steroids and steroid analogs. The invention also provides methods to make and use these immunomodulatory compositions and formulations.

  本发明提供了由式 1 类固醇（如 16&agr;-溴-3&bgr;-羟基-5&agr;-雄甾烷-17-酮半水合物）和一种或多种赋形剂组成的组合物，其中组合物通常包含小于约 3% 的水。本发明的组合物可用于制造改进的药物制剂。本发明还提供了类固醇化合物（如 16&agr;-溴-3&bgr;-羟基-5&agr;-雄甾烷-17-酮的类似物）的间歇给药方法以及在这种给药方案中有用的组合物。本发明进一步提供了使用某些类固醇和类固醇类似物抑制病原体（病毒）复制、改善与免疫失调相关的症状和调节受试者免疫反应的组合物和方法。本发明还提供了制造和使用这些免疫调节组合物和制剂的方法。
• Therapeutic treatment methods 2
  申请人：Reading L. Christopher

  公开号：US20050101581A1

  公开（公告）日：2005-05-12

  The invention relates to the use of compounds to ameliorate or treat a condition such as a cystic fibrosis, neutropenia or other exemplified conditions. Exemplary compounds that can be used include 3β-hydroxy-17β-aminoandrost-5-ene, 3β-hydroxy-16α-fluoro-17β-aminoandrost-5-ene, 3α-hydroxy-16α-fluoro-17β-aminoandrost-5-ene, 3β-hydroxy-16β-fluoro-17β-aminoandrost-5-ene, 1α,3β-dihydroxy-4α-fluoroandrost-5-ene-17-one, 1α,3β,17β-trihydroxy-4α-fluoroandrost-5-ene, 1β,3β-dihydroxy-6α-bromoandrost-5-ene, 1α-fluoro-3β,12α-dihydroxyandrost-5-ene-17-one, 1α-fluoro-3β,4α-dihydroxyandrost-5-ene and 4α-fluoro-3β,6α,17β-trihydroxyandrostane.

  本发明涉及使用化合物来改善或治疗诸如囊性纤维化、中性粒细胞减少症或其他示例性疾病。可使用的示例化合物包括 3β-羟基-17β-氨基雄甾-5-烯、3β-羟基-16α-氟-17β-氨基雄甾-5-烯、3α-羟基-16α-氟-17β-氨基雄甾-5-烯、3β-羟基-16β-氟-17β-氨基雄甾-5-烯、1α,3β-二羟基-4α-氟-雄甾-5-烯-17-酮、1α,3β,17β-三羟基-4α-氟雄甾烷-5-烯、1β,3β-二羟基-6α-溴雄甾烷-5-烯、1α-氟-3β,12α-二羟基雄甾烷-5-烯-17-酮、1α-氟-3β,4α-二羟基雄甾烷-5-烯和 4α-氟-3β,6α,17β-三羟基雄甾烷。