2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile monohydrate | 1028385-31-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile monohydrate
• 英文别名: 2-Methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile;hydrate
• CAS: 1028385-31-0
• 化学式: C₃₀H₂₃N₅O*H₂O
• 分子量: 487.561
• InChiKey: SKRVEPBIRUTRHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  37
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  74.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile monohydrate
  参考文献：
  名称：

  WO2008/64093

  摘要：

  公开号：

文献信息

• Salts and crystall forms of 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile
  申请人：Stowasser Frank

  公开号：US20100168153A1

  公开（公告）日：2010-07-01

  The invention relates to particular crystalline forms of 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile, its hydrates and solvates, its salts and hydrates and solvates of its salts, certain processes for their preparation, pharmaceutical compositions containing these crystalline forms, and their use in diagnostic methods or, preferably, for the therapeutic treatment of warm-blooded animals, especially humans, and their use as an intermediate or for the preparation of pharmaceutical preparations for use in diagnostic methods or, preferably, for the therapeutic treatment of warm-blooded animals, especially humans.

  本发明涉及2-甲基-2-[4-(3-甲基-2-氧代-8-喹啉-3-基-2,3-二氢咪唑[4,5-c]喹啉-1-基)-苯基]-丙腈的特定晶体形式、其水合物和溶剂化合物、其盐及其盐的水合物和溶剂化合物，以及制备这些晶体形式的某些方法、含有这些晶体形式的制药组合物，以及其用于诊断方法或更好地用于治疗恒温动物，特别是人类，以及其用作中间体或用于制备用于诊断方法或更好地用于治疗恒温动物，特别是人类的制药制剂。
• SALTS AND CRYSTALLINE FORMS OF 2-METHYL-2-[4- (3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-1-YL)-PHENYL]-PROPIONITRILE
  申请人：Novartis AG

  公开号：EP2364981A1

  公开（公告）日：2011-09-14

  The invention relates to particular crystalline forms of 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile, its hydrates and solvates, its salts and hydrates and solvates of its salts, certain processes for their preparation, pharmaceutical compositions containing these crystalline forms, and their use in diagnostic methods or, preferably, for the therapeutic treatment of warm-blooded animals, especially humans, and their use as an intermediate or for the preparation of pharmaceutical preparations for use in diagnostic methods or, preferably, for the therapeutic treatment of warm-blooded animals, especially humans.

  本发明涉及 2-甲基-2-[4-(3-甲基-2-氧代-8-喹啉-3-基-2,3-二氢咪唑并[4,5-c]喹啉-1-基)-苯基]-丙腈、其水合物和溶液、其盐及其盐的水合物和溶液的特定结晶形式、制备它们的某些工艺、含有这些结晶形式的药物组合物、 以及它们在诊断方法中的用途，或最好用于温血动物（尤其是人类）的治疗，以及它们作为中间体或制备药物制剂在诊断方法中的用途，或最好用于温血动物（尤其是人类）的治疗。
• SALTS AND CRYSTALL FORMS OF 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-1-YL)-PHENYL]-PROPIONITRILE
  申请人：NOVARTIS AG

  公开号：EP2094700A2

  公开（公告）日：2009-09-02
• US8436177B2
  申请人：——

  公开号：US8436177B2

  公开（公告）日：2013-05-07
• [EN] SALTS AND CRYSTALL FORMS OF 2-METHYL-2-[4-(3-METHYL-2-OXO-8-QUINOLIN-3-YL-2,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLIN-1-YL)-PHENYL]-PROPIONITRILE<br/>[FR] SELS ET FORMES CRISTALLINES DE 2-MÉTHYL-2-[4-(3-MÉTHYL-2-OXO-8-QUINOLÉIN-3-YL-2,3-DIHYDRO-IMIDAZO[4,5-C]QUINOLÉIN-1-YL)-PHÉNYL]-PROPIONITRILE
  申请人：NOVARTIS AG

  公开号：WO2008064093A2

  公开（公告）日：2008-05-29

  [EN] The invention relates to particular crystalline forms of 2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-yl-2,3-dihydro-imidazo[4,5-c]quinolin-1-yl)-phenyl]-propionitrile, its hydrates and solvates, its salts and hydrates and solvates of its salts, certain processes for their preparation, pharmaceutical compositions containing these crystalline forms, and their use in diagnostic methods or, preferably, for the therapeutic treatment of warm-blooded animals, especially humans, and their use as an intermediate or for the preparation of pharmaceutical preparations for use in diagnostic methods or, preferably, for the therapeutic treatment of warm-blooded animals, especially humans.
  [FR] L'invention concerne des formes cristallines particulières de 2-méthyl-2-[4-(3-méthyl-2-oxo-8-quinoléin-3-yl-2,3-dihydro-imidazo[4,5-c]quinoléin-1-yl)-phényl]-propionitrile, leurs hydrates et solvates, leurs sels et hydrates et solvates de ses sels, certains procédés pour leur préparation, les compositions pharmaceutiques contenant ces formes cristallines, et leur utilisation dans des procédés diagnostiques ou, de préférence, pour le traitement thérapeutique d'animaux à sang chaud, spécialement des êtres humains, et leur utilisation comme intermédiaire ou pour la préparation de préparations pharmaceutiques pour une utilisation dans des procédés diagnostiques ou, de préférence, pour le traitement thérapeutique d'animaux à sang chaud, spécialement des êtres humains.