奈司茶碱 | 116763-36-1

• 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: 奈司茶碱
• 中文别名: 7-(1,3-二噻戊环-2-基甲基)-1,3-二甲基黄嘌呤
• 英文名称: 7-(1,3-dithiolan-2-ylmethyl)theophylline
• 英文别名: ABC 99；nestifylline；7-(1,3-dithiolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
• CAS: 116763-36-1
• 化学式: C₁₁H₁₄N₄O₂S₂
• 分子量: 298.39
• InChiKey: HIQUBRAKVZRBRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  奈司茶碱 、 双氧水 生成 1,3-dimethyl-7-[[(1S,2S)-1-oxo-1,3-dithiolan-2-yl]methyl]purine-2,6-dione
  参考文献：
  名称：

  GROSA, GIORGIO;CAPUTO, OTTO;CERUTI, MAURIZIO;BIGLINO, GIUSEPPE;FRANZONE, +, EUR. J. MED. CHEM., 24,(1989) N, C. 635-638

  摘要：

  DOI：
• 作为产物：
  描述：

  多索茶碱杂质01 、 1,2-乙二硫醇 在 三氟化硼乙醚 作用下， 以 1,4-二氧六环 为溶剂， 反应 5.0h， 以50%的产率得到奈司茶碱
  参考文献：
  名称：

  Synthesis and antibronchospastic activity of theophylline thioacetal derivatives

  摘要：

  DOI：

  10.1016/0223-5234(89)90035-4

文献信息

• 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。
• Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases
  申请人：Scaramuzzino, Giovanni

  公开号：EP1336602A1

  公开（公告）日：2003-08-20

  New pharmaceutical compounds of general formula (I): F-(X)q where q is an integer from 1 to 5, preferably 1; -F is chosen among drugs described in the text, -X is chosen among 4 groups -M, -T, -V and -Y as described in the text. The compounds of general formula (I) are nitrate prodrugs which can release nitric oxide in vivo in a controlled and selective way and without hypotensive side effects and for this reason they are useful for the preparation of medicines for prevention and treatment of inflammatory, ischemic, degenerative and proliferative diseases of musculoskeletal, tegumental, respiratory, gastrointestinal, genito-urinary and central nervous systems.

  通式（I）的新药物化合物：F-（X）q，其中q是1到5的整数，最好是1；-F是在文本中描述的药物中选择的，-X是在文本中描述的4个组-M，-T，-V和-Y中选择的。通式（I）的化合物是硝酸盐前药，可以在体内以受控和选择性的方式释放一氧化氮，而不会产生降压副作用，因此它们非常适用于制备用于预防和治疗肌肉骨骼，皮肤，呼吸，消化，泌尿和中枢神经系统的炎症，缺血，退行性和增生性疾病的药物。
• NOVEL COMPOUNDS AND METHODS FOR MODULATING UBIQUITINATION
  申请人：Johann Wolfgang Goethe-Universität Frankfurt am Main

  公开号：EP3299460A1

  公开（公告）日：2018-03-28

  The present invention pertains to the modification of the eukaryotic ubiquitin system by using the bacterial virulence factor SdeA and variants and mutants thereof. The invention is based on the phosphodiesterase activity of SdeA, which catalyzes a phospho-ribosylation (or simply "ribosylation") event of ubiquitin and ubiquitin-like proteins. The invention provides SdeA proteins and mutants without said phosphodiesterase activity, as well as medical applications of these recombinant proteins, their encoding nucleic acids, ribosylated ubiquitin proteins, and compounds which may act as selective or non-selective phosphodiesterase inhibitors.

  本发明涉及利用细菌毒力因子 SdeA 及其变体和突变体对真核生物泛素系统进行修饰。 本发明以 SdeA 的磷酸二酯酶活性为基础，SdeA 可催化泛素和泛素样蛋白的磷酸核糖化（或简称 "核糖化"）过程。 本发明提供了没有上述磷酸二酯酶活性的 SdeA 蛋白和突变体，以及这些重组蛋白、其编码核酸、核糖基化泛素蛋白和可作为选择性或非选择性磷酸二酯酶抑制剂的化合物的医学应用。
• Controlled absorption water-soluble pharmaceutically active organic compound formulation for once-daily administration
  申请人：Counts David F.

  公开号：US10463611B2

  公开（公告）日：2019-11-05

  The present disclosure provides a once-daily water-soluble pharmaceutically active formulation for oral administration. In certain embodiments, the composition comprises a water-soluble pharmaceutically active organic compound incorporated into a small particulate, each particulate having a core of the water-soluble pharmaceutically active organic compound or an acceptable salt thereof in reversible association with a pharmaceutically acceptable drug-binding polymer. The core of the composition being surrounded by an insoluble water permeable membrane that is capable of delaying the dissolution of the pharmaceutically active compound therewithin and providing for extended release of the pharmaceutically active compound. In some embodiments, the formulation of the invention are designed to extend release of the pharmaceutically active organic compound for about 3 hours to about 8 hours, thereby enabling preparation of an extended release formulation for any pharmaceutically active compound with a half-life of from about 16 hours to about 21 hours.

  本公开提供了一种用于口服的每日一次水溶性药用活性制剂。在某些实施方案中，该组合物包括掺入小颗粒中的水溶性药用活性有机化合物，每个颗粒都有一个水溶性药用活性有机化合物或其可接受盐的核心，该核心与药学上可接受的药物结合聚合物可逆结合。组合物的核心由不溶性透水膜包围，该膜能够延迟其中的药用活性化合物的溶解，并延长药用活性化合物的释放时间。在某些实施方案中，本发明的制剂可将药用活性有机化合物的释放时间延长约 3 小时至约 8 小时，从而能够制备半衰期为约 16 小时至约 21 小时的任何药用活性化合物的缓释制剂。
• Compositions and methods for preventing and treating conditions
  申请人：Ansella Therapeutics, Inc.

  公开号：US10668046B2

  公开（公告）日：2020-06-02

  Provided herein are compositions comprising a stable water-in-silicone emulsion, and methods and kits comprising the compositions for treating conditions.

  本文提供了包含稳定的硅酮水乳剂的组合物，以及包含该组合物的用于治疗疾病的方法和试剂盒。