2-(4-Methylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-Methylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrimidine
• 化学式: C₂₀H₁₇N₃O₂S
• 分子量: 363.4
• InChiKey: RBPODQILINHERL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  72.7
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• SUBSTITUTED IMIDAZO 1,2A]AZINES AS SELECTIVE INHIBOTORS OF COX-2
  申请人：LABORATORIOS S.A.L.V.A.T., S.A.

  公开号：EP1104762A1

  公开（公告）日：2001-06-06

  The invention refers to new compounds of formula (I), wherein A and B are selected from the group consisting of N and CH, with the condition that when A is N, B is N; R1 is selected from the group consisting of CH3 and NH2; R2 and R3 are selected from the group consisting of H, CH3, Br, Cl, COCH3 and OCH3; and R4, R5 and R6, are selected from the group consisting of H, F, Cl, Br, (C1-C3)-alkyl, trifluoromethyl, (C1-C3)-alkoxy and trifluoromethoxy. Compounds of formula (I) are prepared by reaction of a substituted aminoazine with a substituted 2-bromo-2-(4-R1-sulfonylphenyl)-1-phenylethanone in a polar solvent. These new compounds inhibit COX-2 with high selectivity over COX-1. They are useful for the treatment of inflamation and/or cyclooxygenase-mediated diseases, having the additional advantage of a reduced potencial for ulcerogenic effects.

  本发明涉及式(I)的新化合物，其中A和B选自由N和CH组成的组，条件是当A为N时，B为N；R1选自由CH3和NH2组成的组；R2和R3选自由H、 、Br、Cl、CO 和O 组成的组；以及R4、R5和R6选自由H、F、Cl、Br、(C1-C3)-烷基、三氟甲基、(C1-C3)-烷氧基和三氟甲氧基组成的组。式(I)化合物是由取代的氨基嗪与取代的 2-溴-2-(4-R1-砜基苯基)-1-苯乙酮在极性溶剂中反应制备而成。这些新化合物抑制 COX-2 的选择性高于 COX-1。它们可用于治疗炎症和/或环氧合酶介导的疾病，还具有减少致溃疡作用的潜力。
• SUBSTITUTED IMIDAZO[1,2A]AZINES AS SELECTIVE INHIBITORS OF COX-2
  申请人：LABORATORIOS S.A.L.V.A.T., S.A.

  公开号：EP1104762B1

  公开（公告）日：2002-09-18
• US6670365B1
  申请人：——

  公开号：US6670365B1

  公开（公告）日：2003-12-30