N-[4-(7-azabicycIo[2.2.1]heptan-7-yl)-2-(3-dimethylaminoprop-1-ynyl)phenyl]-4-oxo-5-(trifluoromethyI)-1H-quinoIine-3-carboxamide | 1223105-23-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[4-(7-azabicycIo[2.2.1]heptan-7-yl)-2-(3-dimethylaminoprop-1-ynyl)phenyl]-4-oxo-5-(trifluoromethyI)-1H-quinoIine-3-carboxamide
• 英文别名: N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-dimethylaminoprop-1-ynyl)phenyl]-4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxamide；N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-[3-(dimethylamino)prop-1-ynyl]phenyl]-4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxamide
• CAS: 1223105-23-4
• 化学式: C₂₈H₂₇F₃N₄O₂
• 分子量: 508.543
• InChiKey: AIYBNPUAKKIKPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  64.7
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-oxo-5-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylic acid 、 4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(3-(dimethylamino)prop-1-ynyl)aniline 在 吡啶 、 1-丙基磷酸酐 、 水 、 碳酸氢钠 作用下， 以 2-甲基四氢呋喃 、 乙酸乙酯 为溶剂， 反应 0.5h， 以17%的产率得到N-[4-(7-azabicycIo[2.2.1]heptan-7-yl)-2-(3-dimethylaminoprop-1-ynyl)phenyl]-4-oxo-5-(trifluoromethyI)-1H-quinoIine-3-carboxamide
  参考文献：
  名称：

  [EN] MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR
  [FR] MODULATEURS DE RÉGULATEUR DE CONDUCTANCE TRANSMEMBRANAIRE DE MUCOVISCIDOSE

  摘要：

  公开号：

  WO2010048526A3

文献信息

• FORMULATIONS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID
  申请人：Verwijs Marinus Jacoubus

  公开号：US20130186801A1

  公开（公告）日：2013-07-25

  A pharmaceutical composition comprising Compound 1, (3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid), and at least one excipient selected from: a filler, a disintegrant, a surfactant, a binder, and a lubricant, the composition being suitable for oral administration to a patient in need thereof to treat a CFTR mediated disease such as Cystic Fibrosis. Processes of preparing pharmaceutical compositions comprising Compound 1 are also disclosed.

  一种包括化合物1（（3-（6-（1-（2,2-二氟苯并[d][1,3]二噁英-5-基）环丙烷羧酰胺）-3-甲基吡啶-2-基）苯甲酸）的药物组合物，以及至少一种来自以下选项的赋形剂：填料、分散剂、表面活性剂、粘合剂和润滑剂，该组合物适用于口服给予患有CFTR介导的疾病，如囊性纤维化的患者。还公开了制备包含化合物1的药物组合物的方法。
• Solid Forms of (R)-1(2,2-Difluorobenzo[D][1,3]Dioxol-5-yl)-N-(1-(2,3-Dihydroxypropyl-6-Fluoro-2-(1-Hydroxy-2-Methylpropan-2-yl)-1H-Indol-5-yl)-Cyclopropanecarboxamide
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20130143918A1

  公开（公告）日：2013-06-06

  The present invention relates to solid forms of (R)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide (Compound 1) in substantially crystalline form (Form A) or amorphous form, pharmaceutical compositions thereof, and methods of treatment therewith.

  本发明涉及(R)-1-(2,2-二氟苯并[d][1,3]二氧杂环-5-基)-N-(1-(2,3-二羟基丙基)-6-氟-2-(1-羟基-2-甲基丙基)-1H-吲哚-5-基)环丙烷羧酰胺（化合物1）的固体形式，包括在实质晶体形式（A型）或非晶形式，以及其制备的药物组合物和治疗方法。
• Pharmaceutical Compositions for the Treatment of CFTR Mediated Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20140163068A1

  公开（公告）日：2014-06-12

  Pharmaceutical compositions comprising 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid (Compound 1) in Form I and a solid dispersion comprising substantially amorphous N-(5-hydroxy-2,4-ditert-butyl-phenyl)-4-oxo-1H-quinoline-3-carboxamide (Compound 2), methods of treating, lessening the severity of, or symptomatically treating CFTR mediated diseases, such as cystic fibrosis, methods of manufacturing, methods of administering, and kits thereof are disclosed.

  本发明涉及一种包含1号化合物（以I型形式存在）和固态分散物（包含基本无定形的2号化合物N-（5-羟基-2,4-二叔丁基苯基）-4-氧代-1H-喹啉-3-羧酰胺）的制药组合物，以及治疗、减轻或症状治疗CFTR介导的疾病（如囊性纤维化）的方法，制造方法，给药方法和相关工具包。
• Modulators of Cystic Fibrosis Transmembrane Conductance Regulator
  申请人：Binch Hayley

  公开号：US20100113508A1

  公开（公告）日：2010-05-06

  The present invention relates to modulators of cystic fibrosis transmembrane conductance regulator (“CFTR”), compositions thereof, and methods therewith. The present invention also relates to methods of treating diseases using modulators of CFTR.

  本发明涉及囊性纤维化跨膜传导调节因子（“CFTR”）的调节剂，其组成物和使用该调节剂的方法。本发明还涉及使用CFTR调节剂治疗疾病的方法。
• SOLID FORMS OF (R)-1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)-N-(1-(2,3-DIHYDROXYPROPYL)-6-FLUORO-2-(1-HYDROXY-2-METHYLPROPAN-2-YL)-1H-INDOL-5-YL) CYCLOPROPANECARBOXAMIDE
  申请人：Keshavarz-Shokri Ali

  公开号：US20110251253A1

  公开（公告）日：2011-10-13

  The present invention relates to solid forms of (R)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(1-(2,3-dihydroxypropyl)-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide (Compound 1) in substantially crystalline form (Form A) or amorphous form, pharmaceutical compositions thereof, and methods of treatment therewith.

  本发明涉及(R)-1-(2,2-二氟苯并[d][1,3]二噁英-5-基)-N-(1-(2,3-二羟基丙基)-6-氟-2-(1-羟基-2-甲基丙基)-1H-吲哚-5-基)环丙基甲酰胺(化合物1)的固态形式，包括实质晶体形式(A型)或非晶态形式，其制备的制药组合物以及治疗方法。