4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid;methylsulfinylmethane

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-methylbenzenesulfonic acid;methylsulfinylmethane
• 化学式: C30H30ClF3N4O7S2
• 分子量: 715.2
• InChiKey: OEYUYCQWFMYLHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.79
• 重原子数：
  47
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  191
• 氢给体数：
  4
• 氢受体数：
  12

文献信息

• [EN] FORMS OF SORAFENIB TOSYLATE AND PROCESSES FOR THE PREPARATION THEREOF<br/>[FR] FORMES DE TOSYLATE DE SORAFÉNIB ET PROCÉDÉS POUR LES PRÉPARER
  申请人：APOTEX TECHNOLOGIES INC

  公开号：WO2014138905A1

  公开（公告）日：2014-09-18

  The present invention relates to hemi-DMSO solvate of sorafenib tosylate, a process for its preparation and pharmaceutical formulation thereof. The process comprises preparing a solution of sorafenib tosylate in DMSO, by the addition of DMSO to sorafenib base, followed by the addition of />-toluenesulphonic acid monohydrate, or the addition of DMSO to sorafenib tosylate, and the subsequent addition of propylene glycol to the mixture to form a suspension, from which the hemi-DMSO solvate is isolated with or without dilution with isopropanol.