4(4-[3-(4-chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy)-pyridine-2-carboxylic acid methylamide phenylsulfonate | 835621-09-5

• 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-chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy)-pyridine-2-carboxylic acid methylamide phenylsulfonate
• 英文别名: 4{4-[3-(4-Chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy}-pyridine-2-carboxylic acid methylamide phenylsulfonate；benzenesulfonic acid;4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
• CAS: 835621-09-5
• 化学式: C₆H₆O₃S*C₂₁H₁₅ClF₄N₄O₃
• 分子量: 641.0
• InChiKey: GOFWMRYICXEEAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.62
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  155
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  瑞格菲尼 在 苯磺酸 作用下， 以 乙醇 为溶剂， 以69%的产率得到4(4-[3-(4-chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy)-pyridine-2-carboxylic acid methylamide phenylsulfonate
  参考文献：
  名称：

  [EN] FLUORO SUBSTITUTED OMEGA-CARBOXYARYL DIPHENYL UREA FOR THE TREATMENT AND PREVENTION OF DISEASES AND CONDITIONS
  [FR] OMEGA-CARBOXYARYLDIPHENYLUREE FLUORO-SUBTITUEE POUR LE TRAITEMENT ET LA PREVENTION DE MALADIES ET D'ETATS PATHOLOGIQUES

  摘要：

  公开号：

  WO2005009961A3

文献信息

• [EN] SYNTHETIC METABOLITES OF FLUORO SUBSTITUTED OMEGA-CARBOXYARYL DIPHENYL UREA FOR THE TREATMENT AND PREVENTION DISEASES AND CONDITIONS<br/>[FR] MÉTABOLITES SYNTHÉTIQUES D'OMÉGA-CARBOXYARYLDIPHÉNYLURÉES FLUOROSUBSTITUÉES POUR LE TRAITEMENT ET LA PRÉVENTION DE MALADIES ET D'ÉTATS
  申请人：BAYER HEALTHCARE LLC

  公开号：WO2011130728A1

  公开（公告）日：2011-10-20

  Synthetic metabolites of compounds of Formula (I); salts thereof, prodrugs thereof, pharmaceutical compositions containing such synthetic metabolites, and use of such compound and compositions to treat diseases mediated by raf, VEGFR, PDGFR, p38 and flt-3. Described are M2, M3, M4, and M5 synthetic metabolites of compounds of formula I, wherein the structures of said compound of formula I and said M2, M3, M4, and M5 synthetic metabolites are:

  化合物I的合成代谢物；其盐，前药，含有这些合成代谢物的制药组合物，以及使用这些化合物和组合物治疗由raf，VEGFR，PDGFR，p38和flt-3介导的疾病。描述了化合物I的M2、M3、M4和M5合成代谢物，其中化合物I和M2、M3、M4和M5合成代谢物的结构如下：
• Pharmaceutical compositions for the treatment of hyper-proliferative disorders
  申请人：Dumas Jacques

  公开号：US20060058358A1

  公开（公告）日：2006-03-16

  This invention relates to novel pharmaceutical compositions comprising a solid dispersion of the compound of Formula I below, to processes for preparing these novel pharmaceutical compositions and to their use for treating hyper-proliferative disorders, such as cancer, either as a sole agent or in combination with other therapies. Formula I is as follows:

  本发明涉及一种新型药物组合物，包括以下化合物的固体分散物，以及制备这种新型药物组合物的方法，以及将其用于治疗过度增生性疾病，如癌症，作为单一药物或与其他治疗方法联合使用。化合物的化学式如下：Formula I
• Fluoro substituted omega-carboxyaryl diphenyl urea for the treatment and prevention of diseases and conditions
  申请人：Boyer Stephen

  公开号：US20050038080A1

  公开（公告）日：2005-02-17

  A compound of Formula (I): salts thereof, prodrugs thereof, metabolites thereof, pharmaceutical compositions containing such a compound, and use of such compound and compositions to treat diseases mediated by raf, VEGFR, PDGFR, p38 and flt-3.

  公式（I）的化合物：其盐，其前药，其代谢物，含有此类化合物的制药组合物，以及使用此类化合物和组合物治疗由raf、VEGFR、PDGFR、p38和flt-3介导的疾病。
• Fluro substituted Omega-Carboxyaryl Diphenyl Urea for the Treatment and Prevention of Diseases and Conditions
  申请人：Bayer Healthcare LLC

  公开号：US20130131122A1

  公开（公告）日：2013-05-23

  A compound of Formula (I): salts thereof, prodrugs thereof, metabolites thereof, pharmaceutical compositions containing such a compound, and use of such compound and compositions to treat diseases mediated by raf, VEGFR, PDGFR, p38 and flt-3.

  化合物式(I)的化合物：其盐，前药，代谢物，含有该化合物的药物组成物，以及使用该化合物和组成物治疗由raf，VEGFR，PDGFR，p38和flt-3介导的疾病。
• TREATMENT OF CANCERS HAVING RESISTANCE TO CHEMOTHERAPEUTIC AGENTS
  申请人：Wilhelm Scott

  公开号：US20100173954A1

  公开（公告）日：2010-07-08

  The present invention provides compositions and methods for treating cancer with DAST, 44-[3-(4-chloro-3-trifluoromethylphenyl)-ureido]-3-fluorophenoxy}-pyridine-2-carboxylic acid methylamide of the formula I, including all polymorphs, hydrates, pharmaceutically acceptable salts, metabolites, prodrugs, solvates or combinations thereof. Any cancer can be treated, including cancers that have acquired resistance to another therapeutic agent, such as kinase inhibitors. DAST can also be used to treat cancers which have become refractory to other chemotherapeutic agents

  本发明提供了使用DAST（44-[3-(4-氯-3-三氟甲基苯基)-尿素]-3-氟苯氧基}-吡啶-2-羧酸甲酰胺，I式），包括所有多晶形态、水合物、药学上可接受的盐、代谢物、前药、溶剂化合物或其组合物，治疗癌症的组合物和方法。可以治疗任何癌症，包括已经对其他治疗药物（如激酶抑制剂）产生耐药性的癌症。DAST还可用于治疗已经对其他化疗药物产生耐药性的癌症。