3-(4-{2-[3-(5-tert-butyl-2-{3-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-phenyl}-2H-pyrazol-3-yl)-ureidomethyl]-benzyloxy}-3-chloro-6-methyl-2-oxo-2H-pyridin-1-yl)-N-(2-methoxy-ethyl)-4-methyl-benzamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-{2-[3-(5-tert-butyl-2-{3-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-phenyl}-2H-pyrazol-3-yl)-ureidomethyl]-benzyloxy}-3-chloro-6-methyl-2-oxo-2H-pyridin-1-yl)-N-(2-methoxy-ethyl)-4-methyl-benzamide
• 英文别名: 3-[4-[[2-[[[5-tert-butyl-2-[3-[2-(oxan-2-yloxy)ethoxy]phenyl]pyrazol-3-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxopyridin-1-yl]-N-(2-methoxyethyl)-4-methylbenzamide
• 化学式: C₄₆H₅₅ClN₆O₈
• 分子量: 855.431
• InChiKey: QPPLNQGRFZEORI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  61
• 可旋转键数：
  18
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  155
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3-(4-{2-[3-(5-tert-butyl-2-{3-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-phenyl}-2H-pyrazol-3-yl)-ureidomethyl]-benzyloxy}-3-chloro-6-methyl-2-oxo-2H-pyridin-1-yl)-N-(2-methoxy-ethyl)-4-methyl-benzamide 在 甲醇 、 4-甲基苯磺酸吡啶 作用下， 反应 6.0h， 以82.5%的产率得到3-{4-[2-(3-{5-tert-butyl-2-[3-(2-hydroxy-ethoxy)-phenyl]-2H-pyrazol-3-yl}-ureidomethyl)-benzyloxy]-3-chloro-6-methyl-2-oxo-2H-pyridin-1-yl}-4-methyl-benzoic acid 2-methoxy-ethyl ester
  参考文献：
  名称：

  WO2007/91176

  摘要：

  公开号：
• 作为产物：
  描述：

  2-甲氧基乙胺 在 N,N'-羰基二咪唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以93.6%的产率得到3-(4-{2-[3-(5-tert-butyl-2-{3-[2-(tetrahydro-pyran-2-yloxy)-ethoxy]-phenyl}-2H-pyrazol-3-yl)-ureidomethyl]-benzyloxy}-3-chloro-6-methyl-2-oxo-2H-pyridin-1-yl)-N-(2-methoxy-ethyl)-4-methyl-benzamide
  参考文献：
  名称：

  WO2007/91176

  摘要：

  公开号：

文献信息

• Pyridinone Pyrazole Urea and Pyrimidinone Pyrazole Urea Derivatives
  申请人：Devadas Balekudru

  公开号：US20090270350A1

  公开（公告）日：2009-10-29

  This invention is directed generally to substituted pyridinone and pyrimidinone compounds that generally inhibit p38 kinase, TNF, and/or cyclooxygeπase activity. Such substituted pyridinone and pyrimidinone compounds include compounds generally corresponding in structure to the following formula: wherein Z, n, R 1 , R 2a , R 2b , R 2c , R 2d , R 2e , R 3a , R 3b , R 3c , R 3d , R 4 , R 5 , R 6 , R 7a , R 7b , R 7c , R 7d and R 7e are as defined in this specification. This invention also is directed to compositions of such substituted pyridinones and pyrimidinones (particularly pharmaceutical compositions), and methods for treating disorders (typically pathological disorders) associated with p38 kinase activity, TNF activity, and/or cyclooxygenase-2 activity.

  本发明通常涉及取代的吡啶酮和嘧啶酮化合物，它们通常抑制p38激酶、TNF和/或环氧合酶活性。这些取代的吡啶酮和嘧啶酮化合物包括通常对应于以下结构公式的化合物：其中Z、n、R1、R2a、R2b、R2c、R2d、R2e、R3a、R3b、R3c、R3d、R4、R5、R6、R7a、R7b、R7c、R7d和R7e如本说明书所定义。本发明还涉及这些取代的吡啶酮和嘧啶酮（特别是药物组成物）的组成物，以及用于治疗与p38激酶活性、TNF活性和/或环氧合酶-2活性相关的疾病（通常是病理性疾病）的方法。
• PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES
  申请人：Pfizer Products Inc.

  公开号：EP1987022A1

  公开（公告）日：2008-11-05
• [EN] PYRIDINONE PYRAZOLE UREA AND PYRIMIDINONE PYRAZOLE UREA DERIVATIVES<br/>[FR] DERIVES PYRIDINONE-PYRAZOLE-UREE ET PYRIMIDINONE-PYRAZOLE-UREE
  申请人：PFIZER PROD INC

  公开号：WO2007091176A1

  公开（公告）日：2007-08-16

  [EN] This invention is directed generally to substituted pyridinone and pyrimidinone compounds that generally inhibit p38 kinase, TNF, and/or cyclooxygepase activity. Such substituted pyridinone and pyrimidinone compounds include compounds generally corresponding in structure to the following formula: wherein Z, n, R¹, R^2a, R^2b, R^2c, R^2d, R^2e, R^3a, R^3b R^3c, R^3d, R⁴, R⁵, R⁶, R^7a, R^7b, R^7c, R^7d and R^7e are as defined in this specification. This invention also is directed to compositions of such substituted pyridinones and pyrimidinones (particularly pharmaceutical compositions), and methods for treating disorders (typically pathological disorders) associated with p38 kinase activity, TNF activity, and/or cyclooxygenase-2 activity.
  [FR] L'invention concerne de manière générale des composés pyridinone et pyrimidinone substitués qui ont pour action générale d'inhiber l'activité de la kinase p38, du facteur de nécrose tumorale TNF et/ou de la cyclooxygénase. De tels composés incluent des composés dont la structure répond de manière générale à la formule suivante, dans laquelle Z, n, R¹, R^2a, R^2b, R^2c, R^2d, R^2e, R^3a, R^3b R^3c, R^3d, R⁴, R⁵, R⁶, R^7a, R^7b, R^7c, R^7d et R^7e sont tels que définis dans la description. L'invention concerne également des compositions comprenant lesdits composés pyridinone et pyrimidinone substitués (en particulier des compositions pharmaceutiques) ainsi que des procédés visant à traiter des troubles (typiquement des troubles pathologiques) associés à l'activité de la kinase p38, du TNF et ou de la cyclooxygénase-2.
• WO2007/91176
  申请人：——

  公开号：——

  公开（公告）日：——