美替诺龙庚酸酯 | 303-42-4

• 物质功能分类: 医药中间体 - 原料药中间体
• 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: 美替诺龙庚酸酯
• 中文别名: 17β-羟基-1-甲基-5α-雄甾-1-烯-3-酮-17-庚酸酯
• 英文名称: methenolone enanthate
• 英文别名: metenolone enanthate；[(5S,8R,9S,10S,13S,14S,17S)-1,10,13-trimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate
• CAS: 303-42-4
• 化学式: C₂₇H₄₂O₃
• 分子量: 414.629
• InChiKey: TXUICONDJPYNPY-FRXWOFFRSA-N

物化性质

• 熔点：
  70-70.5 °C
• 沸点：
  504.3±50.0 °C(Predicted)
• 密度：
  1.05±0.1 g/cm3(Predicted)
• 溶解度：
  DMF：30 mg/ml；二甲基亚砜：11 mg/ml；乙醇：25 mg/ml

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S22,S26,S36/37/39
• 危险类别码：
  R22
• 储存条件：
  2~8℃

制备方法与用途

用途
该产品是一种蛋白同化激素，广泛用于促进术后肌肉再生和新陈代谢，预防骨质疏松等症状。

用途
作为医药中间体

反应信息

• 作为反应物：
  描述：

  美替诺龙庚酸酯 在 Cunninghamella blakesleeana 作用下， 以 甲醇 为溶剂， 反应 288.0h， 生成 美替诺龙
  参考文献：
  名称：

  Aspergillus niger-mediated biotransformation of methenolone enanthate, and immunomodulatory activity of its transformed products

  摘要：

  Two fungal cultures Aspergillus niger and Cunninghamella blakesleeana were used for the biotransformation of methenolone enanthate (1). Biotransformation with A. niger led to the synthesis of three new (2-4), and three known (5-7) metabolites, while fermentation with C. blakesleeana yielded metabolite 6. Substrate 1 and the resulting metabolites were evaluated for their immunomodulatory activities. Substrate 1 was found to be inactive, while metabolites 2 and 3 showed a potent inhibition of ROS generation by whole blood (IC50= 8.60 and 7.05 mu g/mL), as well as from isolated polymorphonuclear leukocytes (PMNs) (IC50= 14.0 and 4.70 mu g/mL), respectively. Moreover, compound 3 (34.21%) moderately inhibited the production of TNF-alpha, whereas 2 (88.63%) showed a potent inhibition of TNF-alpha produced by the THP-1 cells. These activities indicated immunomodulatory potential of compounds 2 and 3. All products were found to be non-toxic to 3T3 mouse fibroblast cells. (C) 2016 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2016.04.007

文献信息

• NITRILES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1724264A1

  公开（公告）日：2006-11-22

  The present invention relates to a compound of formula (I) wherein Y and Z each is independently N or C; ring A is a carbocyclic group or a heterocyclic group; ring B is a heterocyclic group containing at least one nitrogen atom; R is a hydrogen atom, a substituent, etc,; n is 0, or an integer of from 1 to 10, a salt thereof, a solvate thereof, or an N-oxide thereof, or a prodrug thereof. The compound of formula (I), a salt thereof, a solvate thereof, or an N-oxide thereof, or a prodrug thereof has an inhibitory activity against cysteine protease, and it is useful for the prophylaxis and/or treatment of a cysteine protease-related disease such as osteoporosis, etc.

  本发明涉及一种具有以下式（I）的化合物，其中Y和Z各自独立地为N或C；环A为碳环基团或杂环基团；环B为含有至少一个氮原子的杂环基团；R为氢原子、取代基等；n为0，或为1至10的整数，其盐、溶剂合物、N-氧化物或前药。具有式（I）的化合物，其盐、溶剂合物、N-氧化物或前药对半胱氨酸蛋白酶具有抑制活性，对于预防和/或治疗半胱氨酸蛋白酶相关疾病如骨质疏松症等是有用的。
• 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。
• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR LE TRAITEMENT D'UNE INFLAMMATION
  申请人：RESOLVYX PHARMACEUTICALS INC

  公开号：WO2010120719A1

  公开（公告）日：2010-10-21

  The invention relates to novel resolvin compounds and pharmaceutical preparations thereof. The invention further relates to methods of treatment using the novel resolvin compounds of the invention.

  这项发明涉及新型利用新型resolvin化合物和其药物制剂的治疗方法。
• [EN] THERAPEUTIC COMPOUNDS<br/>[FR] COMPOSÉS THÉRAPEUTIQUES
  申请人：RESOLVYX PHARMACEUTICALS INC

  公开号：WO2010039531A1

  公开（公告）日：2010-04-08

  The invention relates to novel resolvin compounds and pharmaceutical preparations thereof. The invention further relates to methods of treatment using the novel resolvin compounds of the invention.

  这项发明涉及新型resolvin化合物及其制药制剂。该发明还涉及使用该发明的新型resolvin化合物进行治疗的方法。
• [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。