17β-methylestra-1,3,5(10)-trien-3-ol | 59452-14-1

• 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: 17β-methylestra-1,3,5(10)-trien-3-ol
• 英文别名: 17β-estradiol；estradiol；3-hydroxy-17β-methyl estratriene；17beta-Methylestra-1,3,5(10)-trien-3-ol；(8S,9S,13R,14S,17S)-13,17-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
• CAS: 59452-14-1
• 化学式: C₁₉H₂₆O
• 分子量: 270.415
• InChiKey: SVEOBRKOIXNDIJ-DQDQBAQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  17β-methylestra-1,3,5(10)-trien-3-ol 在 溴乙烷 、 magnesium 、 sodium sulfate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 22.58h， 生成 2-(2'-(N,N-dimethylaminoethyl)imino)methyl-17-(1'-methyl)estra-1,3,5(10)-triene-3-ol
  参考文献：
  名称：

  Synthesis of 2-substituted 17β-hydroxy/17-methylene estratrienes and their in vitro cytotoxicity in human cancer cell cultures

  摘要：

  Synthesis of various types of 2-(alkylaminomethyl) and 2-(aroyl) 17 beta-estradiol analogs are reported. The synthesis of similar types of 2-substituted 17-methylene estratriene analogs was also achieved. Synthesis of chalcone derivatives of 17 beta-estradiol and 17-methylene estratriene were also realized. All these 2-substituted estratrienes were tested for their antiproliferative activity by using four different cell lines from colon, lung, glioma and breast cancers. Among the various 2-substituted estratrienes, the compounds 10d, 14a-h and 17e were found to have in vitro antiproliferative activity comparable to that of parent analogs 1-4. Comparison of the SAR pattern of these 2-susbtituted estratriene derivatives confirmed that relatively, 17-methylene estratrienes are more active than that of 17 beta-estradiol analogs. (C) 2011 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2011.08.004
• 作为产物：
  描述：

  雌酚酮 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 18.0h， 生成 17β-methylestra-1,3,5(10)-trien-3-ol
  参考文献：
  名称：

  17-脱氧雌激素类似物。

  摘要：

  已合成了一系列17-取代的17-脱氧雌三烯酮，并已作为潜在的性交后抗生育药进行了测试。确定雌激素相对结合亲和力，在大鼠中进行雌激素和性交后抗生育活性的体内测定，并进一步测试选定的候选化合物在猴子中的雌激素活性。在大鼠中，17-脱氧雌三烯衍生物8a，8b和30显示出低雌激素活性，同时保留了有效的抗生育活性。一开始的结构修饰包括各种17-取代基和17-氧官能度的缺失，以前认为这对于有效活性是必需的。17β-乙基侧链表现出最大的抗生育活性和最大的雌激素分离率。

  DOI：

  10.1021/jm00127a040

文献信息

• Methods for Inhibiting the Development of Huntington's Disease
  申请人：Carnazza James A.

  公开号：US20140329789A1

  公开（公告）日：2014-11-06

  This invention relates to Huntington's disease and more specifically to methods for inhibiting the development of or treating Huntington's disease by administering estrogen, testosterone, precursors thereof or combinations thereof.

  本发明涉及亨廷顿病，更具体地涉及通过给予雌激素、睾酮、其前体或其组合来抑制亨廷顿病的发展或治疗亨廷顿病的方法。
• Panchapakesan, Ganapathy; Sureshbabu, Radhakrishnan; Nachiappan, Dhatchana Moorthy, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2013, vol. 52, # 1, p. 109 - 121
  作者：Panchapakesan, Ganapathy、Sureshbabu, Radhakrishnan、Nachiappan, Dhatchana Moorthy、Mohanakrishnan, Arasambattu K.

  DOI：——

  日期：——
• WEIGHT PROMOTING COMPOSITION, METHOD, AND PRODUCT
  申请人：Pherin Pharmaceuticals, Inc.

  公开号：EP1244458A2

  公开（公告）日：2002-10-02
• PARTICLES FOR DRUG DELIVERY AND OTHER APPLICATIONS
  申请人：Fan Ben

  公开号：US20120141589A1

  公开（公告）日：2012-06-07

  The present invention generally relates to particles for drug delivery and other applications. In one aspect, the present invention relates to a technique for reacting precursor compounds in the presence of a pharmaceutically-active agent to form product (e.g., in the form of particles) in which the agent is substantially contained within the product, and the product is soluble within typical gastric fluid of a mammal. In another aspect, the present invention is generally directed to particles comprising an inorganic pharmaceutically acceptable carrier, such as CaCO 3 , and an agent. In some cases, at least some of the agent contained within the particles is fluidically inaccessible from externally of the particle. For instance, the agent may be present in isolated domains within the particle. In another aspect, the present invention is generally directed to methods of creating particles. For instance, according to one set of embodiments, two fluids containing reactants are mixed where, upon reaction of the reactants, an insoluble product is formed, which precipitates to form particles. In one example, a first fluid containing dissolved carbonate ions and a second fluid containing dissolved calcium ions and a pharmaceutically-active agent are mixed together; upon mixing of the first and second fluids, the calcium ions and the carbonate ions form calcium carbonate, which precipitates to form a co-precipitate with the pharmaceutically-active agent. Yet other aspects of the present invention are directed to particles formed from such reactions, methods of using such reactions, methods of promoting such reactions, kits involving particles, or the like.
• TRANSDERMAL CREAM
  申请人：TherapeuticsMD, Inc.

  公开号：US20160030449A1

  公开（公告）日：2016-02-04

  This disclosure relates to transdermal pharmaceutical compositions containing progesterone in combination with one or more solubilizing agents and penetration enhancers, wherein the pharmaceutical compositions are formulated as creams for topical administration. In some embodiments, the transdermal pharmaceutical compositions contain progesterone, a medium-chain oil, and d-limonene. In some embodiments, the transdermal pharmaceutical compositions contain progesterone, a medium-chain oil, a penetration enhancer (e.g., propylene glycol, a fatty acid ester of propylene glycol, a glycol ether), and optionally d-limonene. In certain embodiments, the pharmaceutical compositions further include estradiol. Methods for treating conditions associated with hormone deficiency in a subject are also described.