(8R,9S,10R,13S)-14-羟基-10,13-二甲基-2,7,8,9,11,12,15,16-八氢-1H-环戊二烯并[a]菲-3,6,17-三酮 | 120051-39-0

• 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: (8R,9S,10R,13S)-14-羟基-10,13-二甲基-2,7,8,9,11,12,15,16-八氢-1H-环戊二烯并[a]菲-3,6,17-三酮
• 英文名称: 14α-Hydroxyandrost-4-ene-3,6,17-trione
• 英文别名: 14-α-hydroxy-4-androstene-3,6,17-trione；14-α-hydroxyandrost-4-ene-3,6,17-trione；14α-hydroxy-4-androstene-3,6,17-trione；androst-4-ene-3,6,17-trione-14α-ol；14alpha-Hydroxy-4-androstene-3,6,17-trione；(8R,9S,10R,13S,14R)-14-hydroxy-10,13-dimethyl-2,7,8,9,11,12,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,6,17-trione
• CAS: 120051-39-0
• 化学式: C₁₉H₂₄O₄
• 分子量: 316.397
• InChiKey: UKVVNEHFNYKGMX-KIVPVIKRSA-N

物化性质

• 沸点：
  497.9±45.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  71.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (8R,9S,10R,13S)-14-羟基-10,13-二甲基-2,7,8,9,11,12,15,16-八氢-1H-环戊二烯并[a]菲-3,6,17-三酮 生成 [(8S,9S,10R,13S,14R)-14-hydroxy-10,13-dimethyl-3,17-dioxo-1,2,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-6-yl] propanoate
  参考文献：
  名称：

  NAKAKOSI, MASAMITI;TAMURA, KODZI;JOSIXAMA, MAKOTO;MIYATA, NOBUO

  摘要：

  DOI：
• 作为产物：
  描述：

  以98.4 over 2 steps的产率得到(8R,9S,10R,13S)-14-羟基-10,13-二甲基-2,7,8,9,11,12,15,16-八氢-1H-环戊二烯并[a]菲-3,6,17-三酮
  参考文献：
  名称：

  Process for preparing 14-alpha-hydroxy-4-androstene-3,6,17-trione

  摘要：

  公开号：

  EP0382162B1

文献信息

• Methods and compositions for the treatment of estrogen-dependent hyperproliferative uterine disorders
  申请人：Wang Changjin

  公开号：US20100087402A1

  公开（公告）日：2010-04-08

  The present invention relates to the treatment of estrogen-dependent hyperproliferative uterine disorders including endometriosis, uterine fibroids, endometrial hyperplasia, uterine cancer, and their related symptoms by intravaginally administering at least two active agents selected from an aromatase inhibitor, an antiinflammatory agent, and a uterine-selective estrogen receptor antagonist. This combination therapy reduces local estrogen production, blocks local estrogen action, and suppresses inflammation locally, resulting in starvation of the estrogen-dependent diseased tissues, relief of related symptoms, and retardation of disease progression. Intravaginal delivery maximizes local inhibition of estrogen production without significantly affecting systemic circulating estrogen levels. This results in enhanced clinical efficacy and reduced side effects.

  本发明涉及治疗依赖雌激素的子宫过度增生性疾病，包括子宫内膜异位症、子宫肌瘤、子宫内膜增生、子宫癌及其相关症状，通过阴道给药至少两种活性药物，所选药物包括芳香化酶抑制剂、抗炎药和子宫选择性雌激素受体拮抗剂。这种联合疗法降低了局部雌激素产生，阻断了局部雌激素作用，并在局部抑制了炎症，导致对依赖雌激素的疾病组织的饥饿，缓解相关症状，延缓疾病进展。阴道给药最大限度地抑制了局部雌激素产生，而不显著影响全身循环雌激素水平。这导致增强的临床疗效和减少的副作用。
• 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。
• Heteroaryl-Ketone Fused Azadecalin Glucocorticoid Receptor Modulators
  申请人：Corcept Therapeutics, Inc.

  公开号：US20140038926A1

  公开（公告）日：2014-02-06

  The present invention provides heteroaryl ketone fused azadecalin compounds and methods of using the compounds as glucocorticoid receptor modulators.

  本发明提供了杂环基酮融合的氮杂十环化合物，以及使用这些化合物作为糖皮质激素受体调节剂的方法。
• Treatment of endometriosis
  申请人：Snow Brand Milk Products Company, Limited

  公开号：US05166200A1

  公开（公告）日：1992-11-24

  A remedy for endometriosis comprising, as an active ingredient, 14.alpha.-hydroxy-4-androstene-3,6,17-trione or an ester derivative thereof, can effectively treat endometriosis by the strong aromatase-inhibitory activity without giving serious side effects.

  一种治疗子宫内膜异位症的药物，包括14.alpha.-羟基-4-雄烯-3,6,17-三酮或其酯衍生物作为活性成分，通过强大的芳香化酶抑制活性而不产生严重的副作用，可以有效治疗子宫内膜异位症。
• Process for preparing 14-.alpha.-hydroxy-4-androstene-3,6,17-trione
  申请人：Snow Brand Milk Products Co., Ltd.

  公开号：US05098535A1

  公开（公告）日：1992-03-24

  A process for the preparation in high yield of 14.alpha.-hydroxy-4-androstene-3,6,17-trione which has an aromatase inhibition activity and is useful as an antitumor agent, in which the 6.beta.-hydroxyl group of 6.beta., 14.alpha.-dihydroxy-4-androstene-3,17-dione is selectively oxidized with the aid of visible light energy.

  一种制备高产量14.alpha.-羟基-4-雄烯-3,6,17-三酮的方法，其具有芳香化酶抑制活性并可用作抗肿瘤剂，在该方法中，利用可见光能量选择性氧化6.beta.-羟基基团，从而得到6.beta., 14.alpha.-二羟基-4-雄烯-3,17-二酮。