苯乙酸睾酮 | 5704-03-0

• 物质功能分类: 原料药 - 激素及调节内分泌功能类药 - 雄激素及同化激素类药
• 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: 苯乙酸睾酮
• 中文别名: 苯乙酸睾丸素
• 英文名称: testosterone phenylacetate
• 英文别名: 17β-phenylacetoxy-androst-4-en-3-one；17β-Phenylacetoxy-androst-4-en-3-on；O-Phenylacetyl-testosteron；[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-phenylacetate
• CAS: 5704-03-0
• 化学式: C₂₇H₃₄O₃
• 分子量: 406.565
• InChiKey: WIJSFCWRMNIREB-ZLQWOROUSA-N

物化性质

• 沸点：
  487.61°C (rough estimate)
• 密度：
  1.0140 (rough estimate)
• 溶解度：
  DMSO：50 mg/mL（122.98 mM；需要超声波）

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  苯乙酸睾酮 在 R-3,3'-二(三苯基硅基)联萘酚膦酸酯 、 bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]} 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 反应 4.5h， 生成 (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-((R)-3-oxo-2,3-diphenyl-2-((phenylamino)methyl)propyl)-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl 2-phenylacetate
  参考文献：
  名称：

  不对称金属卡宾偕二烷基化构建手性季碳中心

  摘要：

  报道了 α-重氮酮与烯烃和 1,3,5-三嗪的对映选择性三组分反应，这导致了具有优异对映选择性的多官能化手性酮。这种前所未有的金属卡宾宝石二烷基化反应具有级联的形式不对称烯丙基化和氨甲基化过程，同时使用现成的材料构建全碳季立构中心。

  DOI：

  10.1002/anie.202302371
• 作为产物：
  描述：

  睾酮 、 苯乙酰氯 在 吡啶 、 苯 作用下， 生成 苯乙酸睾酮
  参考文献：
  名称：

  The tectonic uplift of the Hua Shan in the Cenozoic

  摘要：

  Six granite samples were collected from six difference elevation locations at the Hua Shan in a main ridge of the Qinling Mountain. Apatite and zircon separated from these six samples were dated by the fission track technique. An assessment of the Cenozoic uplift or exhumation rate was obtained from the altitude difference of sampling samples dated by fission track, and from the difference of fission track dates of both apatite and zircon for a sample. The preliminary results suggest that the beginning of uplift of the Hua Shan was as early as 68.2 MaBP and the uplift rates for different periods are 0.02-0.19 mm/a (from the elevation difference) or 0.12-0.16 mm/a (from two mineral fission track dates). The average uplift rate is 0.12 mm/a (from the elevation difference) or 0.14 mm/a (from two mineral fission track dates). The uplift of the Hua Shan might accelerate since (17.8 +/- 2.0) MaBP, and the average uplift rate is about 0.19 mm/a.

  DOI：

  10.1007/bf02900632

文献信息

• SELF-ASSEMBLY OF THERAPEUTIC AGENT-PEPTIDE NANOSTRUCTURES
  申请人：Ohio State Innovation Foundation

  公开号：US20140155577A1

  公开（公告）日：2014-06-05

  Disclosed are conjugates of hydrophobic drugs linked to protected or unprotected amino acids or peptides. The disclosed conjugates are amphiphilic and can self assemble into nanotubes. Nanotubes comprising the conjugates are also described and can have high loading of the drug and protect it from degradation or elimination. The nanotubes are well suited to deliver hydrophobic and unstable drugs to individuals.

  揭示了与受保护或未受保护的氨基酸或肽连接的疏水药物的共轭物。所述的共轭物是两性的，可以自组装成纳米管。还描述了包含这些共轭物的纳米管，可以具有高药物载荷并保护药物免受降解或排泄。这些纳米管非常适合向个体输送疏水和不稳定的药物。
• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE
  申请人：Physics, Chinese Academy of Sciences Lanzhou Institute of Chemical

  公开号：US20130303798A1

  公开（公告）日：2013-11-14

  A production process for substituted phenylacetic acids or ester analogues thereof is disclosed. In this process toluene or toluene substituted with various substituents, an alcohol, an oxidant and carbon monoxide are used as raw materials to obtain compounds comprising structure of phenylacetic acid ester or analogues thereof by catalysis of the complex catalyst formed from transition metal and ligand, and such compounds are hydrolyzed to obtain various substituted phenylacetic acid based compounds. This type of compounds and their derivatives serve as important fine chemicals used widely in the industries of pharmaceuticals, pesticides, perfume and the like.

  揭示了一种用于取代苯乙酸或其酯类似物的生产工艺。在这个工艺中，甲苯或带有各种取代基的甲苯、醇、氧化剂和一氧化碳被用作原料，通过过渡金属和配体形成的复合催化剂的催化作用，获得包含苯乙酸酯结构或其类似物的化合物，并且这些化合物被水解以获得各种基于取代苯乙酸的化合物。这类化合物及其衍生物在制药、农药、香水等行业中被广泛应用，作为重要的精细化学品。
• [EN] DUAL FUNCTIONING IONIC LIQUIDS AND SALTS THEREOF<br/>[FR] LIQUIDES IONIQUES À DOUBLE FONCTION ET SELS DE CEUX-CI
  申请人：UNIV ALABAMA

  公开号：WO2010078300A1

  公开（公告）日：2010-07-08

  Disclosed herein are ionic liquid compositions comprising active pharmaceutical, biological, and nutritional compounds, and methods of use. Further disclosed are compositions of matter including liquid ion pairs alone or in solution and their use; compositions of ionic liquids that are 'solvated,' for example, 'hydrated' and their uses.

  本文揭示了包括活性药物、生物学和营养化合物的离子液体组合物，以及其使用方法。进一步揭示了包括液态离子对的物质组合物，单独或溶解后使用；以及离子液体的“溶剂化”组合物，例如“水合”的组合物及其用途。
• Pharmaceutical preparation comprising an active dispersed on a matrix
  申请人：——

  公开号：US20040058896A1

  公开（公告）日：2004-03-25

  The present invention relates to the field of pharmaceutical technology and describes a novel advantageous preparation for an active ingredient. The novel preparation is suitable for producing a large number of pharmaceutical dosage forms. In the new preparation an active ingredient is present essentially uniformly dispersed in an excipient matrix composed of one or more excipients selected from the group of fatty alcohol, triglyceride, partial glyceride and fatty acid ester.

  本发明涉及制药技术领域，描述了一种新的有利的活性成分制备方法。这种新的制备方法适用于生产大量的药物剂型。在这种新的制备方法中，活性成分基本上均匀地分散在由脂肪醇、甘油三酯、部分甘油酯和脂肪酸酯等多种赋形剂中选择的一种或多种赋形剂组成的赋形剂基质中。