4-(4-Acetylamino-phenyl)-6-methoxy-1-methyl-1H-phthalazine-2-carboxylic acid butylamide | 198755-60-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(4-Acetylamino-phenyl)-6-methoxy-1-methyl-1H-phthalazine-2-carboxylic acid butylamide
• CAS: 198755-60-1
• 化学式: C₂₃H₂₈N₄O₃
• 分子量: 408.5
• InChiKey: ZAXKQNGWVIFATL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.29
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  83.03
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-(4-Acetylamino-phenyl)-6-methoxy-1-methyl-1H-phthalazine-2-carboxylic acid butylamide 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以93%的产率得到4-(4-Amino-phenyl)-6-methoxy-1-methyl-1H-phthalazine-2-carboxylic acid butylamide
  参考文献：
  名称：

  Allosteric modulators of the ampa receptor: Novel 6-substituted dihydrophthalazines

  摘要：

  Novel analogs of the allosteric AMPA receptor modulator SYM 2206 have been prepared. Structure/activity correlations of these novel analogs and other dihydrophthalazines (DHPs) reveal the important contribution of the heteroatom-based aryl substituents in this class of noncompetitive inhibitors. One of the analogs (6, SYM 2189) is equipotent with the early series, but with reduced sedation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00044-x
• 作为产物：
  描述：

  2-[4-(Benzhydrylidene-amino)-benzoyl]-4-methoxy-benzaldehyde 在 盐酸肼 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 氯仿 为溶剂， 反应 2.0h， 生成 4-(4-Acetylamino-phenyl)-6-methoxy-1-methyl-1H-phthalazine-2-carboxylic acid butylamide
  参考文献：
  名称：

  Allosteric modulators of the ampa receptor: Novel 6-substituted dihydrophthalazines

  摘要：

  Novel analogs of the allosteric AMPA receptor modulator SYM 2206 have been prepared. Structure/activity correlations of these novel analogs and other dihydrophthalazines (DHPs) reveal the important contribution of the heteroatom-based aryl substituents in this class of noncompetitive inhibitors. One of the analogs (6, SYM 2189) is equipotent with the early series, but with reduced sedation. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00044-x