1-(2-Methylphenyl)-4,6-dihydropyrazolo[4,3-d][1]benzazepin-5-one | 1002092-18-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2-Methylphenyl)-4,6-dihydropyrazolo[4,3-d][1]benzazepin-5-one
• 英文别名: 1-(2-methylphenyl)-4,6-dihydropyrazolo[4,3-d][1]benzazepin-5-one
• CAS: 1002092-18-3
• 化学式: C₁₈H₁₅N₃O
• 分子量: 289.337
• InChiKey: ZZSBYSCKHNSFTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-<(dimethylamino)methylidene>-1,3,4,5-tetrahydro-2H-1-benzazepine-2,5-dione 、 (2-甲基苯基)肼 在 溶剂黄146 作用下， 反应 1.0h， 以73%的产率得到1-(2-Methylphenyl)-4,6-dihydropyrazolo[4,3-d][1]benzazepin-5-one
  参考文献：
  名称：

  1-Aryl-4,6-dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-ones: A new class of antiproliferative agents with selectivity for human leukemia and breast cancer cell lines

  摘要：

  The synthesis of 1-aryl-4,6-dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-ones by cyclization of 4-[(dimethylamino)methylidene]-3,4-dihydro-1H-[1]benzazepine-2,5-dione with arylhydrazines is reported. When tested on a panel of human cancer cell lines, the title compounds showed antiproliferative activity and a characteristic selectivity pattern of growth inhibition. Although structurally akin to established kinase inhibitors, the new compounds did not exhibit noteworthy inhibitory activity when tested on an array of cancer-related kinases. (C) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.02.007