维罗茶碱 | 66172-75-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 中文名称: 维罗茶碱
• 中文别名: 维罗菲林
• 英文名称: 1,8-dimethyl-3-(2-methyl-1-butyl)xanthine
• 英文别名: (+/-)-Verofylline；1,8-dimethyl-3-(2-methyl-butyl)-3,7(9)-dihydro-purine-2,6-dione；Verofylline；1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione
• CAS: 66172-75-6
• 化学式: C₁₂H₁₈N₄O₂
• 分子量: 250.301
• InChiKey: MTBUJUHRXVGLEF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  69.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  维罗茶碱 、 氯甲酸甲酯 以 四氢呋喃 为溶剂， 以82%的产率得到1,8-dimethyl-3-(2-methylbutyl)-xanthine-7-carboxylic acid, methyl ester
  参考文献：
  名称：

  Xanthine compounds and method of treating bronchospastic and allergic

  摘要：

  支气管哮喘和其他支气管痉挛和过敏疾病可通过给予具有以下式子的取代黄嘌呤化合物的有效量来治疗：##STR1## 其中：R.sub.1 = C.sub.1-C.sub.3烷基，R.sub.3 = c.sub.1-c.sub.7烷基，C.sub.3-C.sub.7烯基，C.sub.3-C.sub.7炔基，C.sub.3-C.sub.7环烷基或C.sub.4-C.sub.7环烷基烷基，R.sub.8 = h，c.sub.1-c.sub.4烷基，C.sub.3-C.sub.4烯基，C.sub.3-C.sub.4炔基或C.sub.3-C.sub.4环烷基，R = c.sub.1-c.sub.4烷基，2-卤代C.sub.2-C.sub.3烷基或苯基。揭示了新颖和优选的支气管扩张剂和抗过敏化合物，其具有以下式子：##STR2## 其中：R.sub.1 = C.sub.1-C.sub.2烷基，R.sub.3 = ch.sub.2--(c.sub.3-c.sub.4烷基)，--CH.sub.2--(C.sub.3-C.sub.4烯基)或--CH.sub.2--(C.sub.3-C.sub.4环烷基)，R.sub.8 = h，c.sub.1-c.sub.2烷基，R = c.sub.1-c.sub.4烷基，2-卤代C.sub.2-C.sub.3烷基或苯基。支气管扩张剂和抗过敏剂可以以片剂、胶囊或气雾剂的形式给予。

  公开号：

  US04120947A1

文献信息

• [EN] PRODRUG COMPOSITIONS AND METHODS OF TREATMENT<br/>[FR] COMPOSITIONS DE PROMÉDICAMENT ET PROCÉDÉS DE TRAITEMENT
  申请人：AQUESTIVE THERAPEUTICS INC

  公开号：WO2021087359A1

  公开（公告）日：2021-05-06

  Pharmaceutical compositions include a prodrug of epinephrine are described.

  药物组合物包括表述的肾上腺素前药。
• 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] 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。
• Microparticles With Modified Release of At Least One Active Principle and Oral Pharmaceutical Form Comprising Same
  申请人：Dargelas Frederic

  公开号：US20090220611A1

  公开（公告）日：2009-09-03

  The invention concerns microparticulate systems with modified release of oral active principle(s). The invention aims at providing a novel pharmaceutical with time-dependent and pH-dependent release mechanism, enabling: a) the latent period preceding the release of the active principle in the stomach; b) the pH triggering the release of the active principle in the intestine; c) the release speed of the active principle. This is achieved through the use of coated microparticles made from particles of active principle each coated with two coating films A and B. A comprises: film-forming (co)polymer (A1) insoluble in fluids of the gastrointestinal tract; ethylcellulose (co)polymer (A2) soluble in fluids of the gastrointestinal tract; plasticizing polyvinylpyrrolidone (A3); castor oil/optionally a surfactant and/or magnesium stearate lubricant (A4). B comprises a hydrophilic polymer (B1) bearing ionized groups with neutral pH (EUDRAGIT® L100-55) and a hydrophobic compound (B2) (LUBRITAB®). The invention also concerns medicines based on said microparticles.

  该发明涉及具有口服活性原理改性释放的微粒系统。该发明旨在提供一种具有时间依赖性和pH依赖性释放机制的新型药物，实现：a）在胃中释放活性原理之前的潜伏期；b）在肠道中触发释放活性原理的pH值；c）活性原理的释放速度。这是通过使用由活性原理颗粒制成的被包覆的微粒来实现的，每个微粒都涂有两层涂膜A和B。A包括：在胃肠道液体中不溶解的成膜（共）聚合物（A1）；在胃肠道液体中可溶解的乙基纤维素（共）聚合物（A2）；增塑剂聚乙烯吡咯烷酮（A3）；蓖麻油/可选的表面活性剂和/或硬脂酸镁润滑剂（A4）。B包括具有中性pH的离子化基团的亲水性聚合物（B1）（EUDRAGIT® L100-55）和疏水化合物（B2）（LUBRITAB®）。该发明还涉及基于这些微粒的药物。
• Calcium channel blockers
  申请人：Massachusetts College of Pharmacy

  公开号：US20020115655A1

  公开（公告）日：2002-08-22

  The invention involves the identification of a family of compounds which block calcium channels. The compounds can be formulated in pharmaceutical carriers and administered to subjects. The compounds are useful for treating disorders associated with calcium channel activity, such as, cardiovascular diseases, for example hypertension, congestive heart failure, arrhythmia and angina.

  这项发明涉及识别一类阻断钙通道的化合物家族。这些化合物可以制成药物载体并用于治疗相关于钙通道活性的疾病，例如心血管疾病，如高血压、心力衰竭、心律失常和心绞痛。