6β,14α-dihydroxyandrost-4-en-3,17-dione | 120051-40-3

• 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
• 英文名称: 6β,14α-dihydroxyandrost-4-en-3,17-dione
• 英文别名: 6β,14α-dihydroxyandrost-4-ene-3,17-dione；androst-4-ene-3,17-dione-6β,14α-diol；6β, 14α-dihydroxy-4-androstene-3,17-dione；6beta,14alpha-Dihydroxy-4-androstene-3,17-dione；(6R,8R,9S,10R,13S,14R)-6,14-dihydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
• CAS: 120051-40-3
• 化学式: C₁₉H₂₆O₄
• 分子量: 318.413
• InChiKey: UDHAKZRCGHAPAZ-NFBMXZEVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6β,14α-dihydroxyandrost-4-en-3,17-dione 生成 [(6R,8R,9S,10R,13S,14R)-14-hydroxy-10,13-dimethyl-3,17-dioxo-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-6-yl] acetate
  参考文献：
  名称：

  NAKAKOSI, MISAMITI;JOSIXAMA, MAKOTO;TAMURA, KOSUKEH;MIYATA, NOBUO

  摘要：

  DOI：

文献信息

• 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。
• METHOD FOR BIOCATALYSIS USING FILAMENTOUS FUNGI
  申请人：Reese Paul B.

  公开号：US20090246850A1

  公开（公告）日：2009-10-01

  A method is disclosed in which filamentous fungi are macerated and encapsulated in an inert matrix to form beads, which can be used to promote reactions carried out by the fungi. The beads are useful, e.g., for producing compounds and compound libraries.

  本发明公开了一种方法，其中纤维状真菌被磨碎并封装在惰性基质中形成珠子，可用于促进真菌所进行的反应。这些珠子可用于生产化合物和化合物库等领域。
• NOVEL ANDROST-4-ENE-3,17-DIONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION
  申请人：SNOW BRAND MILK PRODUCTS CO., LTD.

  公开号：EP0300062A1

  公开（公告）日：1989-01-25

  Compounds of formula (1), H(α)OR(β), Y represents H2 or OH(∇)H(β), Z represents H or OH(α), and R represents H, COCH3, COCH2CH3, COCH(CH3)2 or COC(CH3)3. which are prepared by bringing androst-4-ene-3,17-dione into contact with microorganisms belonging to the genus Acremonium. These compounds are effective in inhibiting estrogen synthetase of human placenta origin.

  式 (1) 的化合物、 H(α)OR(β)，Y 代表 H2 或 OH(∇)H(β)，Z 代表 H 或 OH(α)，R 代表 H、COCH3、COCH2CH3、COCH(CH3)2 或 COC(CH3)3，这些化合物是通过使雄激素-4-烯-3,17-二酮与属于 Acremonium 属的微生物接触而制备的。这些化合物能有效抑制源于人类胎盘的雌激素合成酶。
• Process for production of 6beta, 14alpha-dihydroxy-4-androstene-3, 17-dione
  申请人：NIPPON KAYAKU KABUSHIKI KAISHA

  公开号：EP0599658A2

  公开（公告）日：1994-06-01

  The invention provides a novel process for the production of 6β,14α-dihydroxy-4-androstene-3,17-dione which comprises culturing a microorganism belonging to the genus Myrothecium and capable of hydroxylating 4-androstene-3,17-dione to produce 6β,14α-dihydroxy-4-androstene-3,17-dione in a medium supplemented with 4-androstene-3,17-dione, and isolating 6β,14α-dihydroxy-4-androstene-3,17-dione from the cultured medium. According to the process of the present invention, 6β,14α-dihydroxy-4-androstene-3,17-dione and 14α-hydroxy-4-androstene-3,6,17-trione can be produced with a high yield in a simple manner.

  本发明提供了一种生产 6β,14α-二羟基-4-雄烯-3,17-二酮的新工艺，该工 艺包括培养一种属于 Myrothecium 属并能羟化 4-雄烯-3、17-二酮生成 6β，14α-二羟基-4-雄烯-3，17-二酮，并从培养基中分离出 6β，14α-二羟基-4-雄烯-3，17-二酮。根据本发明的工艺，可以用简单的方法高产率地生产出 6β,14α-二羟基-4-雄烯-3,17-二酮和 14α-羟基-4-雄烯-3,6,17-三酮。