2-((7-ethyl-2-oxo-2H-benzo[h]chromen-4-yl)amino)-N-methoxy-N-methylacetamide | 1239986-35-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 2-((7-ethyl-2-oxo-2H-benzo[h]chromen-4-yl)amino)-N-methoxy-N-methylacetamide
• 英文别名: 2-[(7-ethyl-2-oxobenzo[h]chromen-4-yl)amino]-N-methoxy-N-methylacetamide
• CAS: 1239986-35-6
• 化学式: C₁₉H₂₀N₂O₄
• 分子量: 340.379
• InChiKey: XJNOJHHEOAYYLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-chloro-7-ethyl-2H-benzo[h]chromen-2-one 、 2-amino-N-methoxy-N-methylacetamide hydrobromide 在 三乙胺 作用下， 以 乙醇 为溶剂， 生成 2-((7-ethyl-2-oxo-2H-benzo[h]chromen-4-yl)amino)-N-methoxy-N-methylacetamide
  参考文献：
  名称：

  Antitumor agents 278. 4-Amino-2H-benzo[h]chromen-2-one (ABO) analogs as potent in vitro anti-cancer agents

  摘要：

  4-Amino-2H-benzo[h]chromen-2-one (ABO) analogs were designed, synthesized, and evaluated for cytotoxic activity. Among all 4-substituted ABO analogs, cyclohexyl (12), N-methoxy-N-methylacetamide (14), and various aromatic derivatives (15-25 and 27) exhibited promising cell growth inhibitory activity with ED(50) values of 0.01-5.8 mu M against all tested tumor cell lines. The 4'-methoxyphenyl derivative (18) and 3'-methylphenyl derivative (24) showed the most potent antitumor activity against a broad range of cancer cell lines with ED(50) values of 0.01-76 mu M. Preliminary SAR results indicated that substitutions on nitrogen are critical to the antitumor potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.05.079

文献信息

• Antitumor agents 278. 4-Amino-2H-benzo[h]chromen-2-one (ABO) analogs as potent in vitro anti-cancer agents
  作者：Yizhou Dong、Kyoko Nakagawa-Goto、Chin-Yu Lai、Susan L. Morris-Natschke、Kenneth F. Bastow、Kuo-Hsiung Lee

  DOI：10.1016/j.bmcl.2010.05.079

  日期：2010.7

  4-Amino-2H-benzo[h]chromen-2-one (ABO) analogs were designed, synthesized, and evaluated for cytotoxic activity. Among all 4-substituted ABO analogs, cyclohexyl (12), N-methoxy-N-methylacetamide (14), and various aromatic derivatives (15-25 and 27) exhibited promising cell growth inhibitory activity with ED(50) values of 0.01-5.8 mu M against all tested tumor cell lines. The 4'-methoxyphenyl derivative (18) and 3'-methylphenyl derivative (24) showed the most potent antitumor activity against a broad range of cancer cell lines with ED(50) values of 0.01-76 mu M. Preliminary SAR results indicated that substitutions on nitrogen are critical to the antitumor potency. (C) 2010 Elsevier Ltd. All rights reserved.