N-[4-(7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-5-(hydroxymethyl)-4-oxo-1H-quinoline-3-carboxamide | 1223105-14-3

• 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-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-5-(hydroxymethyl)-4-oxo-1H-quinoline-3-carboxamide
• CAS: 1223105-14-3
• 化学式: C₂₄H₂₂F₃N₃O₃
• 分子量: 457.452
• InChiKey: UCWNDCZTFNFXQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  81.7
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• 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。
• PHARMACEUTICAL COMPOSITIONS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL)BENZOIC ACID AND ADMINISTRATION THEREOF
  申请人：Verwijs Marinus Jacobus

  公开号：US20110256220A1

  公开（公告）日：2011-10-20

  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 diluent, a disintegrant, a surfactant, a binder, a glidant 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. Methods for treating a patient in need thereof include administering an oral pharmaceutical formulation of Compound 1 to the patient.

  一种药物组合物，包括化合物1，(3-(6-(1-(2,2-二氟苯并[d][1,3]二氧杂环戊-5-基)环丙基羧酰胺)-3-甲基吡啶-2-基)苯甲酸)，以及至少一种从以下选出的赋形剂：填充剂、稀释剂、分散剂、表面活性剂、粘结剂、滑动剂和润滑剂，该组合物适用于口服给予需要治疗CFTR介导疾病如囊性纤维化的患者。治疗需要的患者的方法包括给患者口服化合物1的药物制剂。
• PHARMACEUTICAL COMPOSITIONS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIODIN-2-YL)BENZOIC ACID AND ADMINISTRATION THEREOF
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP3150198A1

  公开（公告）日：2017-04-05

  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 diluent, a disintegrant, a surfactant, a binder, a glidant 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. Methods for treating a patient in need thereof include administering an oral pharmaceutical formulation of Compound 1 to the patient.

  一种药物组合物，包含化合物 1、(3-(6-(1-(2,2-二氟苯并[d][1,3]二氧戊环-5-基)环丙烷甲酰胺基)-3-甲基吡啶-2-基)苯甲酸)和至少一种赋形剂，该赋形剂选自：填充剂、稀释剂、崩解剂、表面活性剂、粘合剂、滑润剂和润滑剂，该组合物适合口服给有需要的患者，以治疗 CFTR 介导的疾病，如囊性纤维化。治疗有需要的患者的方法包括向患者口服化合物 1 的药物制剂。
• Process of preparing pharmaceutical compositions for the treatment of CFTR mediated diseases
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：US10231932B2

  公开（公告）日：2019-03-19

  Processes of preparing 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 administering, and kits thereof are disclosed.

  制备包含 3-(6-(1-(2,2-二氟苯并[d][1,3]二恶茂-5-基)环丙烷羧酰胺基)-3-甲基吡啶-2-基)苯甲酸(化合物 1)的药物组合物(形式 I)和包含基本无定形的 N-(5-羟基-2、 本发明公开了 N-(5-羟基-2，4-二叔丁基-苯基)-4-氧代-1H-喹啉-3-甲酰胺（化合物 2）的固体分散体、治疗 CFTR 介导的疾病（如囊性纤维化）、减轻其严重程度或对症治疗的方法、给药方法及其试剂盒。
• 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：US10906891B2

  公开（公告）日：2021-02-02

  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]二恶茂-5-基)-N-(1-(2,3-二羟基丙基)-6-氟-2-(1-羟基-2-甲基丙-2-基)-1H-吲哚-5-基)环丙烷甲酰胺(化合物 1)的固体形式，其基本结晶形式(形式 A)或无定形形式、其药物组合物以及用其处理的方法。