Estra-1,3,5(10)-trien-3,17β-diol 3-propionate ester | 6045-51-8

• 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: Estra-1,3,5(10)-trien-3,17β-diol 3-propionate ester
• 英文别名: 3-propionyloxy-estratrien-(1.3.5(10))-ol-(17β)；(8R)-17c-Hydroxy-3-propionyloxy-13c-methyl-(8rH.9tH.14tH)-7.8.9.11.12.13.14.15.16.17-decahydro-6H-cyclopenta[a]phenanthren；Propionsaeure-[17β-hydroxy-oestratrien-(1.3.5(10))-yl-(3)-ester]；3-Propionyloxy-oestratrien-(1.3.5(10))-ol-(17β)；3-Propionyloxy-oestratrien-(A)-ol-(17β)；17β-estradiol-3-propionate；Estradiol monopropionate；[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] propanoate
• CAS: 6045-51-8；1323-33-7
• 化学式: C₂₁H₂₈O₃
• 分子量: 328.452
• InChiKey: FONFXFZWMZJFCD-AGRFSFNASA-N

物化性质

• 熔点：
  125-126 °C
• 沸点：
  467.3±45.0 °C(Predicted)
• 密度：
  1.139±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Estra-1,3,5(10)-trien-3,17β-diol 3-propionate ester 、 alkaline earth salt of/the/ methylsulfuric acid 生成 雌二醇
  参考文献：
  名称：

  Benthic Disturbance and Impact Experiments in the Central Indian Ocean Basin

  摘要：

  As a part of the Environmental Impact Assessment studies for nodule mining, a long-term program has been initiated in the Central Indian Basin. Multidisciplinary studies on geological, biological, physical, and chemical parameters were carried out in an area selected on the basis of baseline data collected in the first phase of the program. A benthic disturbance was simulated with a hydraulic device also used in the previous experiments irt the Pacific Ocean. A site of 3, 000 x 200 m was repeatedly disturbed by a combination of fluidizing pump and suction pump to dislodge and discharge sediment from the seafloor into the water column 5 m above the seafloor During 9 days of operation, 26 rows were carried out for 47 h of disturbance, resuspending about 6,000 m(3) of sediment along an 88-km line. Data for postdisturbance impact assessment were collected with sediment traps, deep-towed cameras, seafloor samples, and conductivity-temperature depth sensor (CTD)-rosette observations. Seafloor data, sediment samples, and water column studies were aimed at evaluating the impact of benthic disturbance, on the basis of pre- and postdisturbance data collected during the experiment. Observations show that vertical mixing of sediment as well as its lateral movement and resedimentation because of plume migration alters various parameters and leads to changes in the environment around the area.

  DOI：

  10.1080/10641190009353789
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙酸乙酯 、 铂 作用下， 生成 Estra-1,3,5(10)-trien-3,17β-diol 3-propionate ester
  参考文献：
  名称：

  ÜberEster der Follikelhormon-Reihe

  摘要：

  DOI：

  10.1002/hlca.19370200137

文献信息

• Synthesis of estradiol esters from estrone
  作者：S. D. Shuvalova、N. I. Men'shova、G. S. Grinenko

  DOI：10.1007/bf00764184

  日期：1983.9

  chromatographing (IV-VI) by TLC. To obtain the 3 monopropionyl ester (V) acylation of the phenolic hydroxyl of (I) was effected with propionic anhydride in pyridine, the 17 keto group in (II), the propionate ester of (I), was then reduced with sodium borohydride in a medium of methyl alcohol. The yield of (V) was 83.32% calculated on (I). To obtain the 17 monoester (VI) selective hydrolysis of the dipropionate ester

  在开发获得（IV）的方法时，特别是在选择穷举（III）丙酰化的条件时，需要获得雌二醇（V和VI）的3和17单丙酸酯，并确定色谱条件(IV-VI) 通过 TLC。为了获得(I)的酚羟基的3-单丙酸酯(V)酰化在吡啶中用丙酸酐进行，(II)中的17酮基，(I)的丙酸酯，然后用硼氢化钠在吡啶中还原一种甲醇介质。(V)的产率为83.32%，以(I)计算。为了获得 17 单酯 (VI) 在类固醇分子的位置 3 处的二丙酸酯 (IV) 的选择性水解，在室温下使用碳酸钾和甲醇在温和条件下进行。
• COATED IMPLANT
  申请人：Schömig Albert

  公开号：US20100158974A1

  公开（公告）日：2010-06-24

  The present invention relates to an implant or part thereof coated with a wax or a resin. Especially, the present invention relates to an implant or part thereof coated with shellac.

  本发明涉及一种涂有蜡或树脂的植入物或其部件。特别地，本发明涉及一种涂有虫胶的植入物或其部件。
• Estratriene Derivatives
  申请人：Stewart George Alastair

  公开号：US20070275935A1

  公开（公告）日：2007-11-29

  Compounds and methods for modulating mesenchymal cell function, for instance smooth muscle and fibroblast proliferation or cytokine expression, and for treating conditions associated with mesenchymal cell function, for instance airway hyperresponsiveness associated with asthma. The compounds also suppress inflammation. The compounds are a class of estratriene derivates, and includes various derivatives of 2-methoxyestradiol comprising a group A, including a substituted aromatic substituent in the 2-, 6- or 17-position.

  化合物和方法用于调节间充质细胞功能，例如平滑肌和成纤维细胞增殖或细胞因子表达，并用于治疗与间充质细胞功能相关的疾病，例如与哮喘相关的气道过度反应。这些化合物还可抑制炎症。这些化合物是一类雌三烯衍生物，包括2-甲氧基雌二醇的各种衍生物，其中包括A组，包括2-，6-或17-位取代芳香基取代物。
• DRUG DELIVERY SYSTEM WITH STABILISING EFFECT
  申请人：Funke Adrian

  公开号：US20110052699A1

  公开（公告）日：2011-03-03

  A drug delivery system also intended as unit dosage form comprising a thin water-soluble film matrix, wherein said film matrix comprises a) a polyvinyl alcohol-polyethylene glycol graft copolymer (PVA-PEG graft co-polymer) as a water-soluble matrix polymer; an active ingredient being a steroid in which the positions 6 and 7 of the steroidal skeleton are both a —CH 2 — residue; and said film matrix has a thickness of less than 300 μm.

  一种药物传递系统，也称为单剂量形式，包括一种薄的水溶性膜基质，其中所述的膜基质包括：a）一种聚乙烯醇-聚乙二醇嫁接共聚物（PVA-PEG嫁接共聚物）作为水溶性基质聚合物；b）一种活性成分，其中类固醇的骨架的位置6和7都是—CH2—残基；以及c）所述膜基质的厚度小于300微米。
• Use of estrogen-dihydropyridine compounds for weight control
  申请人：UNIVERSITY OF FLORIDA

  公开号：EP0220844A2

  公开（公告）日：1987-05-06

  The invention provides the use of a compound of the formula [E-DHC] (I) or a non-toxic pharmaceutically acceptable salt thereof, wherein [E] is an estrogen and [DHC] is the reduced, biooxidizable, blood-brain barrier penetrating, lipoidal form of a dihydropyridine#pyridinium salt redox carrier in the preparation of a medicament for controlling mammalian body weight. Novel compositions for weight control comprising a compound of formula (I) or its salt are also disclosed. A preferred compound for use herein is an estradiol derivative, namely, 17β-[(1-methy)-1,4-dihydro-3-pyridiny))carbony)oxy]estra-1,3.5(10)-trien-3-ol.

  本发明提供了一种式[E-DHC] (I)化合物的用途。 [E-DHC] (I) 或其无毒的药学上可接受的盐，其中[E]是一种雌激素，[DHC]是二氢吡啶#吡啶鎓盐氧化还原载体的还原型、可生物氧化、可透过血脑屏障的脂质形式，用于制备控制哺乳动物体重的药物。还公开了包含式（I）化合物或其盐的用于控制体重的新型组合物。这里使用的一种优选化合物是雌二醇衍生物，即17β-[(1-甲基)-1,4-二氢-3-吡啶))羰基)氧基]雌甾-1,3.5(10)-三烯-3-醇。