(S)-2-((((5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl)carbonyl)amino)methyl)-3,3,3-trifluoro-2-hydroxypropyl 4-methylbenzenesulfonate | 960249-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (S)-2-((((5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl)carbonyl)amino)methyl)-3,3,3-trifluoro-2-hydroxypropyl 4-methylbenzenesulfonate
• 英文别名: (S)-2-[({[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]carbonyl}amino)methyl]-3,3,3-trifluoro-2-hydroxypropyl 4-methylbenzenesulfonate；[(2S)-2-[[[5-amino-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]methyl]-3,3,3-trifluoro-2-hydroxypropyl] 4-methylbenzenesulfonate
• CAS: 960249-89-2
• 化学式: C₂₁H₂₀F₄N₄O₅S
• 分子量: 516.473
• InChiKey: JGNRHDTYZIWFHI-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  145
• 氢给体数：
  3
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  (S)-2-((((5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl)carbonyl)amino)methyl)-3,3,3-trifluoro-2-hydroxypropyl 4-methylbenzenesulfonate 在 polymer supported carbonate resin (PS-carbonate resin, PS-CO₃) 作用下， 以 四氢呋喃 为溶剂， 生成 (S)-5-amino-1-(4-fluorophenyl)-N-((2-(trifluoromethyl)-2-oxiranyl)methyl)-1H-pyrazole-4-carboxamide
  参考文献：
  名称：

  WO2008/777

  摘要：

  公开号：
• 作为产物：
  描述：

  (S)-5-amino-1-(4-fluorophenyl)-N-(3,3,3-trifluoro-2-hydroxy-2-(hydroxymethyl)propyl)-1H-pyrazole-4-carboxamide 、 对甲苯磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 (S)-2-((((5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl)carbonyl)amino)methyl)-3,3,3-trifluoro-2-hydroxypropyl 4-methylbenzenesulfonate
  参考文献：
  名称：

  WO2008/777

  摘要：

  公开号：

文献信息

• [EN] THIAZOLE AND PYRAZOLE DERIVATIVES AS FLT-3 KINASE INHIBITORS<br/>[FR] DERIVES DE THIAZOLE ET DE PYRAZOLE EN TANT QU'INHIBITEURS DE LA KINASE FLT-3
  申请人：NOVARTIS AG

  公开号：WO2005047273A1

  公开（公告）日：2005-05-26

  The invention relates to thiazole and pyrazole derivatives of formula (I) wherein Q is S and X is C, or Q is CH and X is N; R1 is unsubtituted or substituted phenyl; and R2 is unsubstituted or substituted aryl or heteroaryl; oa a salt of the said compounds, and to processes for the preparation thereof, to pharmaceutical compositions comprising such derivatives and to the use of such derivatives for the preparation of pharmaceutical compositions for the treatment especially of a proliferative disease, such as a tumour disease, in particular such diseases which respond to an inhibition of the FIt-3 kinase.

  该发明涉及公式(I)的噻唑和吡唑衍生物，其中Q为S且X为C，或者Q为CH且X为N；R1为未取代或取代的苯基；R2为未取代或取代的芳基或杂环芳基；或者该化合物的盐；以及其制备方法，包括含有这种衍生物的药物组合物，以及利用这种衍生物制备用于治疗增殖性疾病，如肿瘤疾病，特别是对FIt-3激酶抑制有响应的疾病的药物组合物。
• Thiazole and pyrazole derivatives as flt-3 kinase inhibitors
  申请人：Bold Guido

  公开号：US20070167449A1

  公开（公告）日：2007-07-19

  The invention relates to thiazole and pyrazole derivatives of formula (I) wherein Q is S and X is C, or Q is CH and X is N; R 1 is unsubstituted or substituted phenyl; and R 2 is unsubstituted or substituted aryl or heteroaryl; or a salt of the said compounds, and to processes for the preparation thereof, to pharmaceutical compositions comprising such derivatives and to the use of such derivatives for the preparation of pharmaceutical compositions for the treatment especially of a proliferative disease, such as a tumour disease, in particular such diseases which respond to an inhibition of the Flt-3 kinase.

  本发明涉及式(I)的噻唑和吡唑衍生物，其中Q为S且X为C，或者Q为CH且X为N；R1为未取代或取代的苯基；R2为未取代或取代的芳基或杂环基；或者上述化合物的盐，以及制备这些化合物的方法，包括含有这些衍生物的药物组合物，以及使用这些衍生物制备用于治疗增殖性疾病的药物组合物，如肿瘤疾病，特别是对抑制Flt-3激酶有反应的这种疾病。
• NOVEL COMPOUNDS
  申请人：Barnett Heather Anne

  公开号：US20100234441A1

  公开（公告）日：2010-09-16

  The present invention provides compounds of formula (I): a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation, allergy and/or autoimmune conditions.

  本发明提供了式（I）的化合物，其制备过程，包括化合物的制剂和制备该制剂的制备方法，中间体以及化合物用于制备治疗药物，特别是用于治疗炎症，过敏和/或自身免疫疾病的用途。
• Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions
  申请人：BARNETT Heather Anne

  公开号：US20120277279A1

  公开（公告）日：2012-11-01

  The present invention provides compounds of formula (I): a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation, allergy and/or auto-immune conditions.

  本发明提供了式（I）的化合物：它们的制备方法，包括这些化合物的制剂以及该制剂的制备方法，中间体以及使用这些化合物制造治疗药物，特别是用于治疗炎症，过敏和/或自身免疫疾病。
• Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions
  申请人：Glaxo Group Limited

  公开号：US08247377B2

  公开（公告）日：2012-08-21

  The present invention provides compounds of formula (I): a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation, allergy and/or autoimmune conditions.

  本发明提供了式（I）的化合物，以及它们的制备方法，包括含有该化合物的药物组合物的制备方法，中间体的制备和使用该化合物制造治疗药物，特别是用于治疗炎症，过敏和/或自身免疫疾病的药物。