雌二醇3,17-二戊酸酯 | 63042-28-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 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: 雌二醇3,17-二戊酸酯
• 英文名称: estradiol divalerate
• 英文别名: 3,17β-bis-valeryloxy-estra-1,3,5(10)-triene；3,17β-Bis-valeryloxy-oestra-1,3,5(10)-trien；(8R)-3.17c-Divaleryloxy-13c-methyl-(8rH.9tH.14tH)-7.8.9.11.12.13.14.15.16.17-decahydro-6H-cyclopenta[a]phenanthren；Oestratrien-(1.3.5(10))-diyl-(3.17β)-divalerat；3.17β-Divaleryloxy-oestratrien-(1.3.5(10))；3.17β-Divaleryloxy-oestratrien-(A)；Estradiol 3,17-Divalerate；[(8R,9S,13S,14S,17S)-13-methyl-3-pentanoyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
• CAS: 63042-28-4
• 化学式: C₂₈H₄₀O₄
• 分子量: 440.623
• InChiKey: XCWCTQWBFLVNMT-RIWVVKKCSA-N

物化性质

• 熔点：
  46 - 48°C
• 沸点：
  220-230 °C(Press: 0.05 Torr)
• 密度：
  1.10±0.1 g/cm3(Predicted)
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  32
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  雌二醇3,17-二戊酸酯 在 甲醇 、 sodium tetrahydroborate 作用下， 反应 2.0h， 以74%的产率得到戊酸雌二醇
  参考文献：
  名称：

  [EN] IMPROVED PROCESS FOR PREPARATION OF ESTRADIOL VALERATE AND A NOVEL CRYSTALLINE FORM A OF ESTRADIOL DIVALERATE
  [FR] PROCÉDÉ AMÉLIORÉ DE SYNTHÈSE DU VALÉRATE D'OESTRADIOL ET NOUVELLE FORME CRISTALLINE A DU DIVALÉRATE D'OESTRADIOL

  摘要：

  本发明涉及一种制备戊酸雌二醇（I）的过程，其中通过从酒精溶剂中结晶分离结晶性雌二醇二戊酸酯（III）。

  公开号：

  WO2012059803A1
• 作为产物：
  描述：

  戊酸酐 、 雌二醇 在 吡啶 作用下， 反应 2.0h， 以86.95%的产率得到雌二醇3,17-二戊酸酯
  参考文献：
  名称：

  PROCESS FOR PREPARATION OF ESTRADIOL VALERATE AND A NOVEL CRYSTALLINE FORM A OF ESTRADIOL DIVALERATE

  摘要：

  本发明涉及制备戊酸雌二醇（I）的过程，其包括通过从醇溶剂中结晶分离结晶性雌二醇二戊酸酯（III）的步骤。

  公开号：

  US20130225845A1

文献信息

• Transdermal patches and methods for delivering testosterone
  申请人：THERATECH, INC.

  公开号：EP1604651A1

  公开（公告）日：2005-12-14

  A method of providing testosterone replacement therapy to a woman in need of such therapy comprising applying a testosterone-delivering patch to the skin of said woman which patch transdermally delivers 50 to 500 µg/day of testosterone to the woman.

  一种为需要睾酮替代疗法的妇女提供睾酮替代疗法的方法，包括在该妇女的皮肤上贴上睾酮递送贴片，该贴片经皮向该妇女递送 50 至 500 微克/天的睾酮。
• Method of increasing testosterone and related steroid concentrations in women
  申请人：Unimed Pharmaceuticals, LLC

  公开号：EP2283865A1

  公开（公告）日：2011-02-16

  The present invention relates to methods, kits, combinations, and compositions for treating, preventing or reducing the risk of developing a testosterone deficient disorder, or the symptoms associated with, or related to a testosterone deficient disorder in a female mammal in need thereof. The present invention also relates to a method of administering a steroid in the testosterone synthetic pathway, for example testosterone, to a mammal in need thereof. In addition, the methods, kits, combinations and compositions may be used in conjunction with other pharmaceutical agents effective at treating, preventing, or reducing the risk of developing a testosterone deficient disorder. The methods, kits, combinations and compositions can also be used in conjunction with a pharmacologically effective amount of an estrogenic hormone, for example, estradiol. Furthermore, the methods, kits, combinations and compositions can be used in conjunction with a pharmacologically effective amount of another steroid or pharmaceutical agent that increases serum testosterone levels in a mammal, for example, methyltestosterone.

  本发明涉及治疗、预防或降低雌性哺乳动物睾酮缺乏症或与睾酮缺乏症相关或有关的症状的风险的方法、试剂盒、组合物和组合物。本发明还涉及向需要的哺乳动物施用睾酮合成途径中的类固醇（例如睾酮）的方法。此外，本发明的方法、试剂盒、组合物和组合物还可与其他有效治疗、预防或降低睾酮缺乏症发病风险的药物一起使用。这些方法、试剂盒、组合物和组合物还可与药理有效量的雌激素（例如雌二醇）结合使用。此外，本发明的方法、试剂盒、组合物和组合物还可与药理有效量的另一种可提高哺乳动物血清睾酮水平的类固醇或药剂（例如甲基睾酮）结合使用。
• Phytoestrogen compositions and associated methods
  申请人：NSE Products, Inc.

  公开号：US10143679B2

  公开（公告）日：2018-12-04

  Methods for controlling estrogen metabolite formation in a subject and compositions for use therein are disclosed and described. In one aspect, estrogen metabolite formation may be controlled by coadministering an effective amount of a phytoestrogen and an indole compound.

  本文公开并描述了控制受试者体内雌激素代谢物形成的方法及其使用的组合物。在一个方面，雌激素代谢物的形成可通过联合施用有效量的植物雌激素和吲哚化合物来控制。
• Free insulin testosterone test
  申请人：——

  公开号：US20020061869A1

  公开（公告）日：2002-05-23

  The present invention is directed to a method of identifying a mammal with a hormone disorder, or identifying a mammal at risk of developing a hormone disorder. The method comprises determining the serum concentration of estrogen, testosterone, sex hormone-binding globulin, and insulin in the mammal, calculating their ratio, or F factor, and administering to the mammal a hormone disorder-effective amount of a therapeutic agent until a therapeutic F factor is achieved, or maintained in the mammal. The present invention is also directed to methods, kits, combinations, and compositions for treating, preventing or reducing the risk of developing a hormone disorder, or a disease or disorder associated with, or related to, a hormone disorder, such as cardiovascular disease.

  本发明涉及一种识别患有激素紊乱的哺乳动物或识别有患激素紊乱风险的哺乳动物的方法。该方法包括测定哺乳动物体内雌激素、睾酮、性激素结合球蛋白和胰岛素的血清浓度，计算它们的比率或F因子，并向哺乳动物施用激素紊乱有效量的治疗剂，直到哺乳动物体内达到或维持治疗性F因子。本发明还涉及治疗、预防或降低患激素紊乱或与激素紊乱相关或有关的疾病或紊乱（如心血管疾病）风险的方法、试剂盒、组合物和组合物。
• Therapeutic combinations for the treatment of hormone deficiencies
  申请人：——

  公开号：US20030027804A1

  公开（公告）日：2003-02-06

  The present invention relates to methods of treating, preventing, or reducing the risk of developing a male or female menopause disorder or symptom in a mammal by administering to the mammal a sex hormone binding globulin synthesis inhibiting agent and one or more steroids, including, for example, an androgen or an estrogen; to combinations for treating, preventing or reducing the risk of developing a male or female menopause disorder or symptom in a mammal; and to compositions for treating, preventing, or reducing the risk of developing a male or female menopause disorder or symptom in a mammal, where the composition comprises a sex binding globulin synthesis inhibiting agent and one or more steroids, including, for example, an androgen or an estrogen. In addition, the methods, combinations and compositions may be used in conjunction with other pharmaceutical agents aimed at improving sexual performance or impotence, increasing libido, or treating erectile dysfunction, such as VIAGRA®, to enhance their effectiveness.

  本发明涉及通过向哺乳动物施用性激素结合球蛋白合成抑制剂和一种或多种类固醇（包括例如雄激素或雌激素）来治疗、预防或降低哺乳动物患男性或女性更年期疾病或症状的风险的方法；用于治疗、预防或降低哺乳动物发生男性或女性更年期障碍或症状的风险的组合物；以及用于治疗、预防或降低哺乳动物发生男性或女性更年期障碍或症状的风险的组合物，其中组合物包括性激素结合球蛋白合成抑制剂和一种或多种类固醇，包括例如雄激素或雌激素。此外，这些方法、组合物和组合物还可与其他旨在改善性功能或阳痿、提高性欲或治疗勃起功能障碍的药物（如 VIAGRA®）结合使用，以增强其效果。