4-(3-氟-4-((2-(甲基氨基甲酰基)吡啶-4-基)氨基)苯氧基)-N-甲基吡啶酰胺 | 1855006-12-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-(3-氟-4-((2-(甲基氨基甲酰基)吡啶-4-基)氨基)苯氧基)-N-甲基吡啶酰胺
• 中文别名: 瑞戈菲尼杂质4；瑞戈非尼杂质03
• 英文名称: 4-(3-fluoro-4-((2-(methylcarbamoyl)pyridin-4-yl)amino)phenoxy)-N-methylpicolinamide
• 英文别名: 4-[2-fluoro-4-[2-(methylcarbamoyl)pyridin-4-yl]oxyanilino]-N-methylpyridine-2-carboxamide
• CAS: 1855006-12-0
• 化学式: C₂₀H₁₈FN₅O₃
• 分子量: 395.4
• InChiKey: USLJNRHZMUHXEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  105
• 氢给体数：
  3
• 氢受体数：
  7

安全信息

• WGK Germany：
  3

文献信息

• [EN] PROCESS FOR THE PREPARATION OF 4- {4-[({[4 -CHLORO-3 -(TRIFLUOROMETHYL)-PHENYL]AMINO}CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE<br/>[FR] PROCÉDÉ DE PRÉPARATION DE 4-{4-[({[4-CHLORO-3-(TRIFLUOROMÉTHYL)-PHÉNYL]AMINO}CARBONYL)AMINO]-3-FLUOROPHÉNOXY}-N-MÉTHYLPYRIDINE-2-CARBOXAMIDE, SES SELS ET SON MONOHYDRATE
  申请人：BAYER PHARMA AG

  公开号：WO2011128261A1

  公开（公告）日：2011-10-20

  The present invention relates to a process for preparing 4-4-[([4-chloro-3-(trifluoromethyl)-phenyl]amino}carbonyl)amino]-3-fluorophenoxy}-N-methylpyridine-2-carboxarnide, its salts and monohydrate.

  本发明涉及一种制备4-4-[([4-氯-3-(三氟甲基)苯基]氨基}羰基)氨基]-3-氟苯氧基}-N-甲基吡啶-2-甲酰胺及其盐和一水合物的方法。
• [EN] PROCESS FOR THE PREPARATION OF REGORAFENIB AND ITS CRYSTALLINE FORMS<br/>[FR] PROCÉDÉ POUR LA PRÉPARATION DU RÉGORAFÉNIB ET SES FORMES CRISTALLINES
  申请人：SHILPA MEDICARE LTD

  公开号：WO2016005874A1

  公开（公告）日：2016-01-14

  The present invention relates to a process for the preparation of 4-[4-([4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2- carboxamide or Regorafenib (I): Formula (I). The present invention further relates to a process for the purification of 4-[4-([4-chloro-3-(trifluoromethyl) phenyl] carbamoyl} amino)-3-fluorophenoxy]-N-methylpyridine-2- carboxamide or Regorafenib (I) to provide highly pure material. The present invention further relates to a process for the preparation stable crystalline material of 4-[4-([4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]- N-methyl pyridine-2-carboxamide or Regorafenib (I) useful in the preparation of pharmaceutical compositions for the treatment of cancer.

  本发明涉及一种制备4-[4-([4-氯-3-(三氟甲基)苯基]氨基}-3-氟苯氧基]-N-甲基吡啶-2-羧酰胺或Regorafenib (I)的方法：式（I）。本发明还涉及一种纯化4-[4-([4-氯-3-(三氟甲基)苯基]氨基}-3-氟苯氧基]-N-甲基吡啶-2-羧酰胺或Regorafenib (I)以提供高纯度物质的方法。本发明还涉及一种制备稳定晶体材料4-[4-([4-氯-3-(三氟甲基)苯基]氨基}-3-氟苯氧基]- N-甲基吡啶-2-羧酰胺或Regorafenib (I)的方法，该方法可用于制备用于治疗癌症的制药组合物。
• PROCESS FOR THE PREPARATION OF 4-CARBONYL)AMINO]-3-FLUOROPHENOXY}-N-ETHYLPYRIDINE-2-CARBOXAMIDE, ITS SALTS AND MONOHYDRATE
  申请人：STIEHL Juergen

  公开号：US20140221661A1

  公开（公告）日：2014-08-07

  The present invention relates to a process for preparing 4-(4-[([4-chloro-3-(trifluoromethyl)-phenyl]amino}carbonyl)amino]-3-fluorophenoxy)-N-methylpyridine-2-carboxamide, its salts and monohydrate.

  本发明涉及一种制备4-(4-[([4-氯-3-(三氟甲基)苯基]氨基}羰基)氨基]-3-氟苯氧基)-N-甲基吡啶-2-羧酰胺及其盐和单水合物的方法。
• Method of Purifying and using 4-chloro-n-methy1-2-pyridinecarboxamide
  申请人：BAYER HEALTHCARE LLC

  公开号：US20170334857A1

  公开（公告）日：2017-11-23

  The present invention relates to a process for preparing 4-(4-[([4-chloro-3-(trifluoromethyl)-phenyl]amino}carbonyl)amino]-3-fluorophenoxy)-N-methylpyridine-2-carboxamide, its salts and monohydrate.

  本发明涉及一种制备4-(4-[([4-氯-3-(三氟甲基)苯基]氨基}羰基)氨基]-3-氟苯氧基)-N-甲基吡啶-2-羧酰胺及其盐和单水合物的方法。
• PROCESS FOR THE PREPARATION OF REGORAFENIB AND ITS CRYSTALLINE FORMS
  申请人：SHILPA MEDICARE LIMITED

  公开号：US20170204062A1

  公开（公告）日：2017-07-20

  The present invention relates to a process for the preparation of 4-[4-([4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide or Regorafenib (I). The present invention further relates to a process for the purification of 4-[4-([4-chloro-3-(trifluoromethyl) phenyl] carbamoyl} amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide or Regorafenib (I) to provide highly pure material. The present invention further relates to a process for the preparation stable crystalline material of 4-[4-([4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]-N-methyl pyridine-2-carboxamide or Regorafenib (I) useful in the preparation of pharmaceutical compositions for the treatment of cancer.

  本发明涉及一种制备4-[4-([4-氯-3-(三氟甲基)苯基]氨基}-3-氟苯氧基)-N-甲基吡啶-2-羧酰胺或Regorafenib（I）的过程。本发明还涉及一种纯化4-[4-([4-氯-3-(三氟甲基)苯基]氨基}-3-氟苯氧基)-N-甲基吡啶-2-羧酰胺或Regorafenib（I）以提供高纯度物质的过程。本发明还涉及一种制备稳定晶体材料4-[4-([4-氯-3-(三氟甲基)苯基]氨基}-3-氟苯氧基)-N-甲基吡啶-2-羧酰胺或Regorafenib（I）的过程，该晶体材料可用于制备用于治疗癌症的药物组合物。