17-羟基孕甾-4-烯-3,20-二酮 17-庚酸酯 | 4596-16-1

• 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
• 中文名称: 17-羟基孕甾-4-烯-3,20-二酮 17-庚酸酯
• 中文别名: 17-羟基孕甾-4-烯-3,20-二酮17-庚酸酯；黄体酮杂质
• 英文名称: 17-heptanoyloxy-pregn-4-ene-3,20-dione
• 英文别名: 17-Heptanoyloxy-pregn-4-en-3,20-dion；17-hydroxypregn-4-ene-3,20-dione 17-heptanoate；17-Hydroxyprogesterone heptanoate；[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] heptanoate
• CAS: 4596-16-1
• 化学式: C₂₈H₄₂O₄
• 分子量: 442.639
• InChiKey: NKJYZYWCGKSMSV-BDPSOKNUSA-N

物化性质

• 熔点：
  112 - 115°C
• 沸点：
  547.7±50.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3beta,17-二羟基孕甾-5-烯-20-酮 3-甲酸酯 在 环己酮 、 aluminum isopropoxide 、 对甲苯磺酸 、 苯 作用下， 生成 17-羟基孕甾-4-烯-3,20-二酮 17-庚酸酯
  参考文献：
  名称：

  Notes - Steroids. LXXVI. Synthesis of Long Chain Carboxylic Acid Esters of 17α-Hydroxyprogesterone

  摘要：

  DOI：

  10.1021/jo01108a601

文献信息

• Means and method for hormonal contraception
  申请人：Pantarhei Bioscience B.V.

  公开号：EP1293210A1

  公开（公告）日：2003-03-19

  The present invention is concerned with a kit containing a plurality of hormone units for use in a contraceptive method which consists of two alternating consecutive phases, sometimes referred to as a sequential method or sequential regimen. More particularly the present invention relates to a kit containing a plurality of daily hormone units for use in a contraceptive method which consists of two alternating consecutive phases - an estrogenic and a progestogenic phase - of administering a sequence of said hormone units to a female of childbearing capability, the plurality of daily hormone units consisting of: a) one or more daily hormone units, for use during the estrogenic phase, containing synthetic estrogen or a combination of synthetic estrogen and biogenic estrogen in a therapeutically effective amount to inhibit ovulation and b) at least 10 daily hormone units, for use during the progestogenic phase, containing a combination of biogenic estrogen and progestogen in a therapeutically effective amount to inhibit ovulation and to transform the endometrium from a proliferative into a secretory state.

  本发明涉及一种含有多个激素单位的试剂盒，用于由两个交替连续阶段组成的避孕方法，有时也称为连续方法或连续方案。更具体地说，本发明涉及一种含有多个日用激素单位的试剂盒，用于一种避孕方法，该方法包括两个交替连续的阶段--雌激素阶段和孕激素阶段--向有生育能力的女性施用所述激素单位的序列，所述多个日用激素单位包括： a) 一个或多个日用激素单位，用于雌激素阶段，含有治疗有效量的合成雌激素或合成雌激素和生物雌激素的组合，以抑制排卵，以及 b) 至少 10 个日用激素单位，用于孕激素阶段，含有治疗有效量的生物雌激素和孕激素的组合，以抑制排卵并使子宫内膜从增殖状态转变为分泌状态。
• Pharmaceutical preparation for continuous hormonal treatment over a period of longer than 21-28 days comprising two estrogen and/or progestin compositions
  申请人：Schering Aktiengesellschaft

  公开号：EP1535618A1

  公开（公告）日：2005-06-01

  A pharmaceutical preparation to obtain a continuous hormonal treatment over a desired period of time longer than 21-28 days comprising a first composition containing at least one estrogen and/or at least one progestin in a predetermined amount to be administered in the first 21-28 days and a second composition which contains at least one estrogen and/or at least one progestin in a predetermined amount higher than the amount of the first composition and comprises a mono or multiphase sequence of pharmaceutical dosages.

  一种可在超过 21-28 天的预期时间内获得持续荷尔蒙治疗的药物制剂，包括一种第一组合物，其中含有至少一种雌激素和/或至少一种孕激素，其预定用量在前 21-28 天内给药，以及一种第二组合物，其中含有至少一种雌激素和/或至少一种孕激素，其预定用量高于第一组合物的用量，并包括单相或多相的药物剂量序列。
• Fulvestrant formulation
  申请人：AstraZeneca AB

  公开号：EP1669073A2

  公开（公告）日：2006-06-14

  The invention relates to a novel sustained release pharmaceutical formulation adapted for administration by injection containing the compound 7α-[9-(4,4,5,5,5-pentafluoropentylsulphmyl)nonyl]oestra-1,3,5(10)-thene-3,17β-diol, more particularly to a formulation adapted for administration by injection containing the compound 7α-[9-(4,4,5,5,5-pentafluoropentylsulphinyl)nonyl]oestra-1,3,5(10)-triene-3,17β-diol in solution in a ricinoleate vehicle which additionally comprises at least one alcohol and a non-aqueous ester solvent which is miscible in the ricinoleate vehicle.

  本发明涉及一种适用于注射给药的新型缓释药物制剂，该制剂含有化合物 7α-[9-(4,4,5,5,5-五氟戊基亚磺酰基)壬基]雌甾-1,3,5(10)-三烯-3,17β-二醇，特别是涉及一种适用于注射给药的制剂，该制剂含有化合物 7α-[9-(4、7α-[9-(4,5,5,5-五氟戊基亚磺酰基)壬基]雌甾-1,3,5(10)-三烯-3,17β-二醇在蓖麻油酸盐载体中的溶液。
• Pharmaceutical preparation for continuous hormonal treatment over a period of 21-28 days comprising two ethinylestradio or estradio and drospirenone compositions
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP2044942A1

  公开（公告）日：2009-04-08

  A pharmaceutical preparation to obtain a continuous hormonal treatment over a desired period of time longer than 21-28 days comprising a first composition containing at least one estrogen and/or at least one progestin in a predetermined amount to be administered in the first 21-28 days and a second composition which contains at least one estrogen and/or at least one progestin in a predetermined amount higher than the amount of the first composition and comprises a mono or multiphase sequence of pharmaceutical dosages.

  一种可在超过 21-28 天的预期时间内获得持续荷尔蒙治疗的药物制剂，包括一种第一组合物，其中含有至少一种雌激素和/或至少一种孕激素，其预定用量在前 21-28 天内给药，以及一种第二组合物，其中含有至少一种雌激素和/或至少一种孕激素，其预定用量高于第一组合物的用量，并包括单相或多相的药物剂量序列。
• Bioerodible implant for long-term drug delivery and associated methods of manufacture and use
  申请人：Gesea Biosciences Inc.

  公开号：US10188602B2

  公开（公告）日：2019-01-29

  A drug delivery system is provided in the form of a controlled release, bioerodible pellet for subdermal implantation. The pellet is bioerodible, and provides for the sustained release of a pharmacologically active agent over an extended time period. As such, the drug delivery system finds significant utility in chronic drug administration. Bioerosion products are water soluble, bioresorbed, or both, obviating the need for surgical removal of the implant. Methods for manufacturing and using the drug delivery system are also provided.

  一种药物输送系统是一种用于皮下植入的控释可生物降解颗粒。这种颗粒具有生物可降解性，可在较长时间内持续释放药理活性物质。因此，这种给药系统在慢性给药方面具有重要作用。生物侵蚀产品可溶于水、被生物吸收或两者兼而有之，因此无需通过手术移除植入物。此外，还提供了制造和使用该给药系统的方法。