4-(4-fluoro-anilino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester | 2251-06-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(4-fluoro-anilino)-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester
• 英文别名: 4-(4-Fluor-anilino)-2-methylmercapto-pyrimidin-5-carbonsaeure-aethylester；Ethyl 4-(4-fluoroanilino)-2-methylsulfanylpyrimidine-5-carboxylate
• CAS: 2251-06-1
• 化学式: C₁₄H₁₄FN₃O₂S
• 分子量: 307.348
• InChiKey: NYVFFMVVEDWJRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  89.4
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• 7-oxo-pyridopyrimidines (I)
  申请人：——

  公开号：US20020137756A1

  公开（公告）日：2002-09-26

  The present invention provides compounds of the formula: 1 wherein R 1 , R 2 , R 3 and Ar 1 are those defined herein, and methods for preparation and uses thereof.

  本发明提供了公式1的化合物：其中，R1、R2、R3和Ar1的定义如本文所述，并提供了其制备方法和用途。
• 7- OXO PYRIDOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP1315726A1

  公开（公告）日：2003-06-04
• US6506749B2
  申请人：——

  公开号：US6506749B2

  公开（公告）日：2003-01-14
• US6861423B2
  申请人：——

  公开号：US6861423B2

  公开（公告）日：2005-03-01
• [EN] 7-OXO PYRIDOPYRIMIDINES AS INHIBITORS OF A CELLULAR PROLIFERATION<br/>[FR] 7 OXO PYRIDOPYRIMIDINES COMME INHIBITEURS D'UNE PROLIFERATION CELLULAIRE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2002018380A1

  公开（公告）日：2002-03-07

  Compounds of formula (I) wherein R1 is hydrogen or alkyl; R¿2? is substituted cycloalkyl, heterosubstituted cycloalkyl, heteroalkylsubstituted cycloalkyl, heterosubstituted cycloalkyl-aryl, heterocyclyl, heterocyclyl spiro cycloalkyl, aralkoxy, alkoxy, -alkylene-S(O)n-alkyl(where n is 1 or 2) or -SO2Ar?2; R3¿ is hydrogen, amino, monoalkylamino, dialkylamino, acylamino, -NRa-C(=O)-Rb (where Ra is hydrogen or alkyl and Rb is hetericyclyl or heteroalkyl) alkyl, cycloalkyl, aryl, aralkyl, haloalkyl, heteroalkyl, cyanoalkyl, -alkylene-C(O)-R (where R is hydrogen, alkyl, hydroxy, alkoxy, amino, monoalkylamino or dialkylamino) acyl, or phthalimidoalkyl; and each of Ar?1 and Ar2¿ is independently aryl, and their use for treatment of disorders selected from the group consisting of arthritis, Crohns disease, Alzheimer's disease, irritable bowel syndrome, adult respiratory distress syndrome, and chronic obstructive pulmonary disease.