4,6-雌甾二烯-3,17-二酮 | 13209-45-5

• 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: 4,6-雌甾二烯-3,17-二酮
• 英文名称: estra-4,6-diene-3,17-dione
• 英文别名: 4,6-estradiene-3,17-dione；4,6-Estradien-3,17-dione；19-Nor-androsta-4,6-dien-3,17-dion；3,17-Dioxo-19-norandrosta-4,6-dien；(8R,9S,10R,13S,14S)-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
• CAS: 13209-45-5
• 化学式: C₁₈H₂₂O₂
• 分子量: 270.371
• InChiKey: GKSFRYHLOMZMFQ-QXUSFIETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,6-雌甾二烯-3,17-二酮 以 N,N-二甲基甲酰胺 为溶剂， 反应 46.0h， 以74%的产率得到3-羟基-雌甾-1,3,5(10),6-四烯-17-酮
  参考文献：
  名称：

  Synthesis of 3-methoxyestra-1,3,5(10),6-tetraen-17-one

  摘要：

  DOI：

  10.1021/jo00277a045
• 作为产物：
  描述：

  诺龙 在 四氯苯醌 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 反应 3.0h， 生成 4,6-雌甾二烯-3,17-二酮
  参考文献：
  名称：

  Synthesis of 3-methoxyestra-1,3,5(10),6-tetraen-17-one

  摘要：

  DOI：

  10.1021/jo00277a045

文献信息

• Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use
  申请人：——

  公开号：US20020032180A1

  公开（公告）日：2002-03-14

  Novel anti-estrogenic compounds are provided which are useful to treat a variety of disorders, particularly estrogen-dependent disorders. Preferred compounds have a 1,3,5-estratriene nucleus, and are substituted at the C-17 or C-11 position with a molecular moiety which renders the compounds effective to competitively block the binding of estrogen to its receptor. Particularly preferred compounds are 17-desoxy-1,3,5-estratrienes. Therapeutic methods and pharmaceutical compositions are provided as well.

  提供了新型抗雌激素化合物，这些化合物可用于治疗各种疾病，特别是依赖雌激素的疾病。优选的化合物具有1,3,5-雌三烯骨架，并在C-17或C-11位置上取代了一种分子基团，使这些化合物能够有效地竞争性地阻断雌激素与其受体的结合。特别优选的化合物是17-去氧-1,3,5-雌三烯。还提供了治疗方法和药物组合物。
• 7.alpha.-(.xi.-aminoalkyl)-estratrienes, process for their production,
  申请人：Schering AG

  公开号：US05866560A1

  公开（公告）日：1999-02-02

  This invention describes new, substituted 7.alpha.-(.xi.-aminoalkyl)-estratrienes of general formula I ##STR1## in which side chain SK is a radical of partial formula ##STR2## as well as their physiologically compatible addition salts with organic and inorganic acids. The new compounds represent compounds with very strong antiestrogenic action. The compounds according to the invention are, on the one hand, pure antiestrogens, or, on the other hand, antiestrogens with estrogenic partial action. Based on this spectrum of action, the new compounds are highly suitable for the production of pharmaceutical agents for tumor therapy and hormone replacement treatment.

  这项发明描述了新的、取代的7.alpha.-(.xi.-氨基烷基)-雌三烯的一般式I ##STR1## 其中侧链SK是部分式的基团 ##STR2## 以及它们与有机和无机酸的生理相容性加盐。这些新化合物代表具有非常强抗雌激素作用的化合物。根据本发明的化合物一方面是纯抗雌激素，另一方面是具有雌激素部分作用的抗雌激素。基于这种作用谱，新化合物非常适合用于肿瘤治疗和激素替代治疗的药物制剂的生产。
• 7 &agr;-(5-methylaminopentyl)-estratrienes, process for their production, pharmaceutical preparations that contain these 7 &agr;(5-methylaminopentyl)-estratrienes as well as their use for the production of pharmaceutical agents
  申请人：Schering Aktiengesellschaft

  公开号：US06288051B1

  公开（公告）日：2001-09-11

  This invention describes the new 7&agr;-(5-methylaminopentyl)-estratrienes of general formula I in which R2 stands for a hydrogen or fluorine atom, R17 stands for a hydrogen atom, a methyl or ethinyl group, n stands for 2, 3 or 4, and x stands for 0, 1 or 2. The new compounds are strong, pure antiestrogens and can be used for the production of pharmaceutical agents for treatment of estrogen-dependent diseases, for example, breast cancer, endometrial carcinoma, prostatic hyperplasia, anovulatory infertility and melanoma.

  这项发明描述了一种新的7α-(5-甲基氨基戊基)-雌三烯的一般式I，其中R2代表氢原子或氟原子，R17代表氢原子、甲基或乙炔基，n代表2、3或4，x代表0、1或2。这些新化合物是强力、纯净的抗雌激素，可用于生产治疗雌激素依赖性疾病的药物，例如乳腺癌、子宫内膜癌、前列腺增生、无排卵性不孕症和黑色素瘤。
• Steroids CCXXVIII. The synthesis of equilin
  作者：J.A. Zderic、Humberto Carpio、A. Bowers、Carl Djerassi

  DOI：10.1016/s0039-128x(63)80109-9

  日期：1963.3

  19-norandrosta-4,7-diene-3,17-dione (X) is described. The latter compound is transformed directly into equilin by a microbiological dehydrogenation process with Corynebacterium simplex , thus representing the first synthesis of this important female sex hormone. Alternate attempts to synthesise equilin are discussed.

  描述了 19-norandrosta-4,7-diene-3,17-dione (X) 转化为 19-norandrosta-4,7-diene-3,17-dione (X)。后一种化合物通过单一棒状杆菌的微生物脱氢过程直接转化为马匹，因此代表了这种重要女性性激素的首次合成。讨论了合成 equilin 的替代尝试。
• 14,17.alpha.-etheno- and -ethanoestratrienes, processes for the
  申请人：Schering Aktiengesellschaft

  公开号：US05145847A1

  公开（公告）日：1992-09-08

  Disclosed are novel 14,17.alpha.-etheno- and -ethanoestratrienes according to general Formula I ##STR1## wherein X is a --CH.sub.2 --CH.sub.2 or ##STR2## R.sup.1 is a hydrogen atom, a C.sub.1 - to C.sub.15 -acyl, benzoyl, C.sub.1 - to C.sub.15 -alkyl, C.sub.3 - to C.sub.9 -cycloalkyl or alkylcycloalkyl group, and R.sup.2 is the grouping ##STR3## wherein R.sup.3 and R.sup.4 independently of each other mean a hydrogen atom or a straight-chain or branched, optionally partially or completely fluorinated C.sub.1 -C.sub.8 -alkyl group, a process for their preparation, pharmaceutical preparations containing these compounds, as well as their use for the production of medicinal agents. The novel compounds exhibit strong antiestrogenic efficacy.

  本发明涉及一种新的14,17.alpha.-环氧基-和-环氧烷基雌甾三烯，其通式为I ##STR1## 其中X是--CH.sub.2 --CH.sub.2或##STR2## R.sup.1是氢原子，C.sub.1到C.sub.15-酰基，苯甲酰基，C.sub.1到C.sub.15-烷基，C.sub.3到C.sub.9-环烷基或烷基环烷基，R.sup.2是基团##STR3## 其中R.sup.3和R.sup.4各自独立地表示氢原子或直链或支链，可选择部分或完全氟化的C.sub.1-C.sub.8-烷基，还公开了制备它们的方法，含有这些化合物的药物制剂，以及它们用于制备药物的用途。这些新化合物表现出强烈的抗雌激素作用。