4-{4-[3-(4-hydroxy-3-trifluoromethyl-phenyl)-ureido]-phenoxy}-pyridine-2-carboxylic acid methylamide | 862875-16-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-{4-[3-(4-hydroxy-3-trifluoromethyl-phenyl)-ureido]-phenoxy}-pyridine-2-carboxylic acid methylamide
• 英文别名: Sorafenib Impurity 9；4-[4-[[4-hydroxy-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
• CAS: 862875-16-9
• 化学式: C₂₁H₁₇F₃N₄O₄
• 分子量: 446.386
• InChiKey: NUDOMXMCXPMNQE-UHFFFAOYSA-N

物化性质

• 沸点：
  531.9±50.0 °C(Predicted)
• 密度：
  1.458±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  113
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS
  申请人：Merck Patent GmbH

  公开号：EP1730111A2

  公开（公告）日：2006-12-13
• Bisarylurea derivatives
  申请人：Buchstaller Hans-Peter

  公开号：US20070161677A1

  公开（公告）日：2007-07-12

  The present invention relates to bisarylurea derivatives of formula (I), the use of the compounds of formula (I) as inhibitors of raf-kinase, the use of the compounds of formula (I) for the manufacture of a pharmaceutical composition and a method of treatment, comprising administering said pharmaceutical composition to a patient.
• [EN] BISARYLUREA DERIVATIVES<br/>[FR] DERIVES DE BISARYLUREE
  申请人：MERCK PATENT GMBH

  公开号：WO2005075425A2

  公开（公告）日：2005-08-18

  The present invention relates to bisarylurea derivatives of formula (I), the use of the compounds of formula (I) as inhibitors of raf-kinase, the use of the compounds of formula (I) for the manufacture of a pharmaceutical composition and a method of treatment, comprising administering said pharmaceutical composition to a patient.