acetic acid-[17β-hydroxy-17α-vinyl-estratrien-(1,3,5(10))-yl-(3)-ester] | 5774-17-4

• 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: acetic acid-[17β-hydroxy-17α-vinyl-estratrien-(1,3,5(10))-yl-(3)-ester]
• 英文别名: (8R)-17c-Hydroxy-3-acetoxy-13c-methyl-17t-vinyl-(8rH,9tH,14tH)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren；Essigsaeure-[17β-hydroxy-17α-vinyl-oestratrien-(1,3,5(10))-yl-(3)-ester]；3-Acetoxy-19-nor-17βH-pregnatetraen-(1,3,5(10),20)-ol-(17)；3-Acetoxy-17α-vinyl-oestratrien-(1,3,5(10))-ol-(17β)；3-Acetoxy-17α-vinyl-oestratrien-(A)-ol-(17β)；17α-ethenylestra-1,3,5(10)-trien-3,17β-diol 3-O-acetate；[(8R,9S,13S,14S,17R)-17-ethenyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 5774-17-4
• 化学式: C₂₂H₂₈O₃
• 分子量: 340.463
• InChiKey: PWCGOHJMPRKHHQ-AANPDWTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  炔雌醇 在 吡啶 、 palladium on activated charcoal 、 Lindlar's catalyst 作用下， 生成 acetic acid-[17β-hydroxy-17α-vinyl-estratrien-(1,3,5(10))-yl-(3)-ester]
  参考文献：
  名称：

  The Preparation of Two Aromatic Analogs of Desoxycorticosterone Acetate

  摘要：

  DOI：

  10.1021/ja01180a022

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。
• Anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use
  申请人：SRI International

  公开号：US06503896B1

  公开（公告）日：2003-01-07

  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.

  提供了一种新型的抗雌激素化合物，适用于治疗各种疾病，特别是依赖雌激素的疾病。首选的化合物具有1,3,5-雌三烯骨架，并在C-17或C-11位置取代分子基团，使这些化合物能够有效地竞争性地阻止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。
• novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use
  申请人：Sri International

  公开号：EP1310509A2

  公开（公告）日：2003-05-14

  Novel and anti-estrogenic compounds are provided which are useful to treat a variety of disorders, particularly estrogen-dependant disorders. Preferred compounds have 1,3,5-estratiene 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-estratienes. Therapeutic methods and pharmaceutical compositions are provided as well.

  本研究提供了新型抗雌激素化合物，可用于治疗各种疾病，特别是雌激素依赖性疾病。优选的化合物具有 1,3,5-雌甾二烯核，并在 C-17 或 C-11 位置被分子基团取代，从而使化合物能够有效地竞争性阻断雌激素与其受体的结合。特别优选的化合物是 17-脱氧-1,3,5-雌甾烯。此外，还提供了治疗方法和药物组合物。
• Estrone sulfamate inhibitors of estrone sulfatase, and associated pharmaceutical compositions and methods of use
  申请人：SRI INTERNATIONAL

  公开号：EP1405860A1

  公开（公告）日：2004-04-07

  Novel compounds useful as inhibitors of estrone sulfatase are provided. The compounds have structural formula (I) wherein r1 is an optional double bond, R1 and R2 are selected from the group consisting of hydrogen and lower alkyl, or together form a cyclic substituent (II) wherein Q is NH, O or CH2, and the other various substituents are as defined herein. Pharmaceutical compositions and methods for using the compounds of formula (I) to treat estrogen-dependent disorders are provided as well.

  提供了可用作雌酮硫酸酯酶抑制剂的新型化合物。这些化合物具有结构式（I），其中 r1 是任选的双键，R1 和 R2 选自氢和低级烷基组成的组，或共同形成环状取代基（II），其中 Q 是 NH、O 或 CH2，其他各种取代基如本文所定义。还提供了使用式（I）化合物治疗雌激素依赖性疾病的药物组合物和方法。
• NOVEL ANTI-ESTROGENIC STEROIDS, AND ASSOCIATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE
  申请人：SRI INTERNATIONAL

  公开号：EP1056768A2

  公开（公告）日：2000-12-06