N-[4-amino-2-(trifluoromethyl)phenyl]-4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxamide | 1350805-17-2

• 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-amino-2-(trifluoromethyl)phenyl]-4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxamide
• CAS: 1350805-17-2
• 化学式: C₁₈H₁₁F₆N₃O₂
• 分子量: 415.295
• InChiKey: UKRDEXKQYWCPJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  84.2
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  5-氟-2-硝基三氟甲苯 在 palladium 10% on activated carbon 、 烟酰胺腺嘌呤双核苷酸磷酸盐 吡啶 、 baker's yeast glucose-6-phosphate dehydrogenase 、 氢气 、 1-丙基磷酸酐 、 三乙胺 、 D-glucose 6-phosphate (Na) 、 magnesium chloride 作用下， 以 2-甲基四氢呋喃 、 乙醇 、 二甲基亚砜 、 乙酸乙酯 、 乙腈 为溶剂， 反应 60.0h， 生成 N-[4-amino-2-(trifluoromethyl)phenyl]-4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxamide 、 N-[4-[(4-hydroxycyclohexyl)amino]-2-(trifluoromethyl)phenyl]-4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxamide 、 2-[4-[[4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]-3-(trifluoromethyl)anilino]cyclopentane-1-carboxylic acid 、 2-[1-[4-[[4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carbonyl]amino]-3-(trifluoromethyl)phenyl]pyrrolidin-2-yl]acetic acid 、 N-[4-[[3-hydroxy-2-(hydroxymethyl)cyclopentyl]amino]-2-(trifluoromethyl)phenyl]-4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxamide 、 N-[4-(2-hydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxamide 、 C₂₄H₁₉F₆N₃O₃ 、 N-[4-(2,5-dihydroxy-7-azabicyclo[2.2.1]heptan-7-yl)-2-(trifluoromethyl)phenyl]-4-oxo-5-(trifluoromethyl)-1H-quinoline-3-carboxamide 、 C₂₄H₁₉F₆N₃O₄
  参考文献：
  名称：

  [EN] PROCESSES FOR PRODUCING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR
  [FR] PROCÉDÉS DE PRODUCTION DE MODULATEURS DU RÉGULATEUR DE CONDUCTANCE TRANSMEMBRANAIRE DE LA FIBROSE KYSTIQUE

  摘要：

  本发明涉及一种生产囊性纤维化跨膜传导调节因子（CFTR）调节剂的方法。

  公开号：

  WO2011146886A1

文献信息

• [EN] PROCESSES FOR PRODUCING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR<br/>[FR] PROCÉDÉS DE PRODUCTION DE MODULATEURS DU RÉGULATEUR DE CONDUCTANCE TRANSMEMBRANAIRE DE LA FIBROSE KYSTIQUE
  申请人：VERTEX PHARMA

  公开号：WO2011146886A1

  公开（公告）日：2011-11-24

  The present invention relates to the process for producing modulators of cystic fibrosis transmembrane conductance regulator (CFTR).

  本发明涉及一种生产囊性纤维化跨膜传导调节因子（CFTR）调节剂的方法。
• Processes for Producing Modulators of Cystic Fibrosis Transmembrane Conductance Regulator
  申请人：Sun Lifang

  公开号：US20110288121A1

  公开（公告）日：2011-11-24

  The present invention relates to the process for producing modulators of cystic fibrosis transmembrane conductance regulator (CFTR).

  本发明涉及制备囊性纤维化跨膜传导调节因子（CFTR）的调节剂的过程。
• 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。
• 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：US20190270728A1

  公开（公告）日：2019-09-05

  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.
• PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CFTR MEDIATED DISEASES
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20200338063A1

  公开（公告）日：2020-10-29

  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.