3-(4-Methoxy-benzyl)-5-(4-methoxy-phenyl)-4-(3,4,5-trimethoxy-phenyl)-3H-oxazol-2-one | 397334-08-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-Methoxy-benzyl)-5-(4-methoxy-phenyl)-4-(3,4,5-trimethoxy-phenyl)-3H-oxazol-2-one
• CAS: 397334-08-6
• 化学式: C₂₇H₂₇NO₇
• 分子量: 477.514
• InChiKey: JIKSNRCVSQYKMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.87
• 重原子数：
  35.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  81.29
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  3-(4-Methoxy-benzyl)-5-(4-methoxy-phenyl)-4-(3,4,5-trimethoxy-phenyl)-3H-oxazol-2-one 在 三氟乙酸 作用下， 反应 3.0h， 生成 5-(4-Methoxy-phenyl)-4-(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：

  在 溶剂黄146 作用下， 反应 8.0h， 生成 3-(4-Methoxy-benzyl)-5-(4-methoxy-phenyl)-4-(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