4-(4-Methoxy-3-nitro-phenyl)-3-(3,4,5-trimethoxy-phenyl)-3H-oxazol-2-one | 397334-01-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(4-Methoxy-3-nitro-phenyl)-3-(3,4,5-trimethoxy-phenyl)-3H-oxazol-2-one
• 英文别名: 4-(4-Methoxy-3-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-one；4-(4-methoxy-3-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-one
• CAS: 397334-01-9
• 化学式: C₁₉H₁₈N₂O₈
• 分子量: 402.361
• InChiKey: GISXPOLFXCIILX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-(4-Methoxy-3-nitro-phenyl)-3-(3,4,5-trimethoxy-phenyl)-3H-oxazol-2-one 在 溶剂黄146 、 锌 作用下， 生成 4-(3-Amino-4-methoxy-phenyl)-3-(3,4,5-trimethoxy-phenyl)-3H-oxazol-2-one
  参考文献：
  名称：

  Combretoxazolones: synthesis, cytotoxicity and antitumor activity

  摘要：

  Two series of combretoxazolones including 3,4-diaryloxazolones (6) and 4,5-diaryloxazolones (7) were synthesized and evaluated for cytotoxicity and antitumor activity. Both series showed strong cytotoxicities against a variety of tumor cell lines. Compound 6g exhibited a significant antitumor activity in BDF1 mice bearing B16 murine melanoma cells with inhibition rates of 67 and 61 % at 100 and 30 mg/kg/day, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00622-9
• 作为产物：
  描述：

  4-甲氧基-3-硝基苯乙酮 在 甜菜碱 、 溴 、 溶剂黄146 作用下， 以 乙醇 、 氯仿 、 甲苯 为溶剂， 反应 11.0h， 生成 4-(4-Methoxy-3-nitro-phenyl)-3-(3,4,5-trimethoxy-phenyl)-3H-oxazol-2-one
  参考文献：
  名称：

  Combretoxazolones: synthesis, cytotoxicity and antitumor activity

  摘要：

  Two series of combretoxazolones including 3,4-diaryloxazolones (6) and 4,5-diaryloxazolones (7) were synthesized and evaluated for cytotoxicity and antitumor activity. Both series showed strong cytotoxicities against a variety of tumor cell lines. Compound 6g exhibited a significant antitumor activity in BDF1 mice bearing B16 murine melanoma cells with inhibition rates of 67 and 61 % at 100 and 30 mg/kg/day, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00622-9

文献信息

• Combretoxazolones: synthesis, cytotoxicity and antitumor activity
  作者：Nguyen-Hai Nam、Yong Kim、Young-Jae You、Dong-Ho Hong、Hwan-Mook Kim、Byung-Zun Ahn

  DOI：10.1016/s0960-894x(01)00622-9

  日期：2001.12

  Two series of combretoxazolones including 3,4-diaryloxazolones (6) and 4,5-diaryloxazolones (7) were synthesized and evaluated for cytotoxicity and antitumor activity. Both series showed strong cytotoxicities against a variety of tumor cell lines. Compound 6g exhibited a significant antitumor activity in BDF1 mice bearing B16 murine melanoma cells with inhibition rates of 67 and 61 % at 100 and 30 mg/kg/day, respectively. (C) 2001 Elsevier Science Ltd. All rights reserved.