19-去甲孕甾-1,3,5(10)-三烯-20-炔-3,17-二醇 | 4717-38-8

• 物质功能分类: 化学试剂 - 有机试剂 - 炔烃
• 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: 19-去甲孕甾-1,3,5(10)-三烯-20-炔-3,17-二醇
• 中文别名: 17-上乙炔基雌二醇；炔雌醇杂质
• 英文名称: 17-beta-Ethynylestradiol
• 英文别名: 17α-ethinyl estradiol；17α-ethinylestradiol；17β-ethynylestradiol；17-alpha-ethynyl estradiol；ethinylestradiol；ethynylestradiol；17beta-Ethinylestradiol；(8R,9S,13S,14S,17S)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 4717-38-8
• 化学式: C₂₀H₂₄O₂
• 分子量: 296.409
• InChiKey: BFPYWIDHMRZLRN-SWBPCFCJSA-N

物化性质

• 沸点：
  457.2±45.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿（微量）、甲醇（微量）、吡啶（微量）

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  19-去甲孕甾-1,3,5(10)-三烯-20-炔-3,17-二醇 生成 (17α,20E)-21-(tributylstannyl)-19-norpregna-1,3,5(10),20-tetraene-3,17-diol
  参考文献：
  名称：

  PILLAI, K. M. R.;MCLAUGHLIN, W. H.;LAMBRECHT, R. M.;BLOOMER, W. D., J. LABELL. COMPOUNDS AND RADIOPHARM., 24,(1987) N 9, 1117-1122

  摘要：

  DOI：
• 作为产物：
  描述：

  3-tert-butyldimethylsilyloxy-17α,20R-epoxy-20-hydroxymethyl-1,3,5(10),17(20)estratetraene 在 四氯化碳 、 正丁基锂 、 四丁基氟化铵 、 三苯基膦 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 6.5h， 生成 19-去甲孕甾-1,3,5(10)-三烯-20-炔-3,17-二醇
  参考文献：
  名称：

  An efficient synthesis of 17-epi-ethynylestradiol

  摘要：

  An efficient synthesis has been developed yielding 17-epi-ethynylestradiol 2 in an overall yield of 17%. The key derivatives 7a-c were prepared from estrone in four steps. Subsequently epoxides 7a,c were efficiently transformed into 2 via Takano's method. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(98)00124-0

文献信息

• Dibenzyl Amine Compounds and Derivatives
  申请人：Chang George

  公开号：US20070213371A1

  公开（公告）日：2007-09-13

  Dibenzyl amine compounds and derivatives, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases in some mammals, including humans.

  二苯基胺化合物及其衍生物，含有这种化合物的药物组合物以及使用这种化合物提高某些血浆脂质水平，包括高密度脂蛋白胆固醇，并降低其他一些血浆脂质水平，如低密度脂蛋白胆固醇和甘油三酯，并据此治疗由高密度脂蛋白胆固醇水平低和/或低密度脂蛋白胆固醇和甘油三酯水平高加重的疾病，如动脉粥样硬化和心血管疾病在某些哺乳动物，包括人类。
• Heterocyclic mchr1 antagoists
  申请人：Barvian K Kevin

  公开号：US20060194871A1

  公开（公告）日：2006-08-31

  This invention relates to novel heterocycles which are antagonists at the melanin-concentrating hormone receptor 1 (MCHR1), also referred to as 11 CBy, to pharmaceutical compositions containing them, to processes for their preparation, and to their use in medicines. Compounds of the invention have the formula:

  这项发明涉及新型杂环化合物，它们是黑色素聚集激素受体1（MCHR1）的拮抗剂，也被称为11 CBy，涉及含有这些化合物的药物组合物，制备这些化合物的过程，以及它们在药物中的用途。发明的化合物具有以下公式：
• [EN] 1,2,4-SUBSTITUERTE 1,2,3,4-TETRAHYDRO-AND 1,2 DIHYDRO-QUINOLINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS CETP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROSIS AND OBESITY<br/>[FR] DERIVES DE 1,2,3,4-TETRAHYDRO- ET 1,2 DIHYDRO-QUINOLEINE ET 1,2,3,4-TETRAHYDRO-QUINOXALINE 1,2,4-SUBSTITUES, UTILES COMME INHIBITEURS DE CETP POUR LE TRAITEMENT DE L'ATHEROSCLEROSE ET DE L'OBESITE
  申请人：PFIZER PROD INC

  公开号：WO2004085401A1

  公开（公告）日：2004-10-07

  Quinoline and quinoxaline compounds of formula I and III wherein the subtituent are as defined in claims 1 and 15, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases in some mammals, including humans.

  喹啉和喹啉并喹啉化合物的公式I和III，其中取代基如权利要求1和15中所定义的，含有这种化合物的药物组合物以及使用这种化合物来提高某些血浆脂质水平，包括高密度脂蛋白胆固醇，并降低其他一些血浆脂质水平，如LDL胆固醇和甘油三酯，并因此治疗由HDL胆固醇水平低和/或LDL胆固醇和甘油三酯水平高加重的疾病，如动脉粥样硬化和心血管疾病在某些哺乳动物中，包括人类。
• [EN] PHENYL SUBSTITUTED PIPERIDINE COMPOUNDS FOR USE AS PPAR ACTIVATORS<br/>[FR] COMPOSES DE PIPERIDINE PHENYLE A SUBSTITUTION PHENYLE S'UTILISANT COMME ACTIVATEURS DE PPAR
  申请人：PFIZER PROD INC

  公开号：WO2004048334A1

  公开（公告）日：2004-06-10

  PPAR alpha activators, pharmaceutical compositions containing such compounds and the use of such compounds to elevate certain plasma lipid levels, including high density lipoprotein-cholesterol and to lower certain other plasma lipid levels, such as LDL-cholesterol and triglycerides and accordingly to treat diseases which are exacerbated by low levels of HDL cholesterol and/or high levels of LDL-cholesterol and triglycerides, such as atherosclerosis and cardiovascular diseases, in mammals, including humans.

  PPARα激动剂，含有这类化合物的药物组合物以及利用这类化合物提高特定血浆脂质水平，包括高密度脂蛋白胆固醇，并降低其他特定血浆脂质水平，如低密度脂蛋白胆固醇和甘油三酯，并据此治疗由高密度脂蛋白胆固醇水平低和/或低密度脂蛋白胆固醇和甘油三酯水平高加重的疾病，如动脉粥样硬化和心血管疾病，在哺乳动物，包括人类中的应用。
• Methods of treatment using an EP2 selective receptor agonist
  申请人：Constan A. Alexander

  公开号：US20050203086A1

  公开（公告）日：2005-09-15

  The present invention relates to methods of treating pulmonary hypertension, facilitating joint fusion, facilitating tendon and ligament repair, reducing the occurrence of secondary fracture, treating avascular necrosis, facilitating cartilage repair, facilitating bone healing after limb transplantation, facilitating liver regeneration, facilitating wound healing, reducing the occurrence of gastric ulceration, treating hypertension, facilitating the growth of tooth enamel or finger or toe nails, treating glaucoma, treating ocular hypertension, and repairing damage caused by metastatic bone disease using an EP 2 selective receptor agonist.

  本发明涉及使用EP2选择性受体激动剂治疗肺动脉高压、促进关节融合、促进肌腱和韧带修复、减少继发性骨折的发生、治疗缺血性坏死、促进软骨修复、促进肢体移植后的骨愈合、促进肝脏再生、促进伤口愈合、减少胃溃疡的发生、治疗高血压、促进牙齿珐琅质或手指甲和脚趾甲的生长、治疗青光眼、治疗眼高压以及修复由转移性骨疾病引起的损伤的方法。