4-Methoxyestriol | 101534-28-5

• 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
• 英文名称: 4-Methoxyestriol
• 英文别名: 4-methoxy-1,3,5(10)-estratriene-3,16α,17β-triol；4-methoxyestra-1,3,5(10)-triene-3,16α,17β-triol；(8R,9S,13S,14S,16R,17R)-4-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
• CAS: 101534-28-5
• 化学式: C₁₉H₂₆O₄
• 分子量: 318.413
• InChiKey: MTZUPVFOGAXGJG-JUVWIQMMSA-N

物化性质

• 沸点：
  494.0±45.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  69.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-nitroestriol 16,17-diacetate 在 palladium on activated charcoal 硫酸 、 氢气 、 potassium carbonate 、 溶剂黄146 、 锌 、 sodium nitrite 作用下， 以 甲醇 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.42h， 生成 4-Methoxyestriol
  参考文献：
  名称：

  Syntheses of 4-hydroxyestriol monoglucuronides and monosulfates.

  摘要：

  通过与α-乙酰溴葡萄糖醛酸甲酯的柯尼希斯-克诺尔反应和与三氧化硫-吡啶络合物的硫化反应，分别从 4-羟基雌三醇 16，17-二乙酸酯合成了 4-羟基雌三醇的 A 环单葡糖醛酸酯和单硫酸盐。通过将产物引向愈创木酚雌激素，明确地阐明了这些化合物的共轭位置。通过葡萄糖醛酸化和硫酸化，再通过氢解，还分别从 4-羟基雌三醇 3，4-二苄醚中得到了 4-羟基雌三醇的 D 环单葡萄糖醛酸化物和单硫酸盐。根据衍生物的光谱数据确定了共轭位置。此外，还介绍了 4-羟基雌二醇 17-共轭物的制备方法。

  DOI：

  10.1248/cpb.34.179

文献信息

• Use of estrogen compounds to increase libido in women
  申请人：——

  公开号：US20040186086A1

  公开（公告）日：2004-09-23

  Disclosed is a method of increasing libido in a woman, said method comprising administering to said woman an effective amount of an estrogenic component selected from the group consisting of: substances represented by the following formula (I) in which formula R 1 , R 2 , R 3 , R 4 independently are a hydrogen atom, a hydroxyl group or an alkoxy group with 1-5 carbon atoms; each of R 5 , R 6 , R 7 is a hydroxyl group; no more than 3 of R 1 , R 2 , R 3 , R 4 are hydrogen atoms; precursors capable of liberating a substance according to the aforementioned formula when used in the present method; and mixtures of one or more of the aforementioned substances and/or precursors.

  本发明公开了一种提高女性性欲的方法，所述方法包括向所述女性施用有效量的雌激素成分，所述雌激素成分选自以下组成的组：由下式（I）代表的物质，其中式 R 1 , R 2 , R 3 , R 4 分别为氢原子、羟基或含有 1-5 个碳原子的烷氧基；每个 R 5 , R 6 , R 7 是羟基；R 1 , R 2 , R 3 , R 4 是氢原子；前体在本方法中使用时能释放出上述式中的物质；以及一种或多种上述物质和/或前体的混合物。
• Method of treating or preventing immune mediated disorders and pharmaceutical formulation for use therein
  申请人：Bunschoten Johannes Evert

  公开号：US20050261209A1

  公开（公告）日：2005-11-24

  A method of treating or preventing an immune mediated disorder in a mammal, said method comprising the administration of a therapeutically effective amount of an estrogenic component to said mammal, wherein the estrogenic component is selected from the group consisting of: substances represented by the following formula: in which formula R 1 , R 2 , R 3 , R 4 independently are a hydrogen atom, a hydroxyl group or an alkoxy group with 1-5 carbon atoms; each of R 5 , R 6 , R 7 is a hydroxyl group; no more than 3 of R 1 , R 2 , R 3 , R 4 are hydrogen atoms; precursors capable of liberating a substance according to the aforementioned formula when used in the present method; and mixtures of one or more of the aforementioned substances and/or precursors. Another aspect of the invention relates to a pharmaceutical formulation comprising the aforementioned estrogenic component, an immunotherapeutic agent and a pharmaceutically acceptable excipient.

  一种治疗或预防哺乳动物免疫介导紊乱的方法，所述方法包括向所述哺乳动物施用治疗有效量的雌激素成分，其中所述雌激素成分选自由下式所代表的物质组成的组： 式中 R 1 , R 2 , R 3 , R 4 分别为氢原子、羟基或含有 1-5 个碳原子的烷氧基；每个 R 5 , R 6 , R 7 是羟基；R 1 , R 2 , R 3 , R 4 是氢原子；前体在本方法中使用时能够释放出符合上述式子的物质；以及一种或多种上述物质和/或前体的混合物。本发明的另一方面涉及一种药物制剂，其中包括上述雌激素成分、一种免疫治疗剂和一种药学上可接受的赋形剂。
• Numazawa, Mitsuteri; Ogura, Yuko; Kimura, Katsuhiko, Journal of Chemical Research, Miniprint, 1985, # 11, p. 3701 - 3715
  作者：Numazawa, Mitsuteri、Ogura, Yuko、Kimura, Katsuhiko、Nagaoka, Masao

  DOI：——

  日期：——
• Method of treating human skin and a skin care composition for use in such a method
  申请人：Coelingh Bennink Jan Tijimen Herman

  公开号：US20050215538A1

  公开（公告）日：2005-09-29

  A cosmetic method of treating human skin by delivering an estrogenic component to said skin, the method comprising applying to the skin a composition containing: (i) at least 5 μg/g of an estrogenic component selected from the group consisting of substances represented by the following formula in which formula R 1 , R 2 , R 3 , R 4 independently are a hydrogen atom, a hydroxyl group or an alkoxy group with 1-5 carbon atoms; each of R 5 , R 6 , R 7 is a hydroxyl group; no more than 3 of R 1 , R 2 , R 3 , R 4 are hydrogen atoms; precursors capable of liberating a substance according to the aforementioned formula when used in the present method; and mixtures of one or more of the aforementioned substances and/or precursors; and (ii) a cosmetically acceptable vehicle. Other aspects of the invention relate to therapeutic methods of treating or preventing vaginal dryness or acne and a therapeutic method of promoting wound healing. Another aspect relates to a skin care composition comprising the aforementioned estrogenic component and a cosmetically acceptable vehicle.
• Hormone Replacement Therapy
  申请人：Zhu Bao Ting

  公开号：US20080293683A1

  公开（公告）日：2008-11-27

  A hormone replacement therapy formulation and method comprising selective estrogenic compounds which preferentially stimulate the estrogen receptor alpha over the estrogen receptor beta.