3-(6-Ethoxy-benzo[1,3]dioxol-5-yl)-3-(4-methoxy-phenyl)-propionic acid | 109336-06-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-(6-Ethoxy-benzo[1,3]dioxol-5-yl)-3-(4-methoxy-phenyl)-propionic acid
• 英文别名: 3-(6-Ethoxy-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanoic acid
• CAS: 109336-06-3
• 化学式: C₁₉H₂₀O₆
• 分子量: 344.364
• InChiKey: HEVMBKIHDOQBAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-(4-甲氧基苯基)-3-羟基丙酸甲酯 在 草酸 、 potassium carbonate 、 溶剂黄146 作用下， 以 水 、 丙酮 为溶剂， 反应 8.0h， 生成 3-(6-Ethoxy-benzo[1,3]dioxol-5-yl)-3-(4-methoxy-phenyl)-propionic acid
  参考文献：
  名称：

  In vivo antitumor activity of 6-benzyl-1,3-benzodioxole derivatives against the P388, L1210, B16, and M5076 murine models

  摘要：

  A series of 6-benzyl-1,3-benzodioxoles have been synthesized and evaluated against the in vivo ip P388 murine lymphocytic leukemia. Selected activities against this system were tested against the additional in vivo systems L1210, B16, M5076, and MX1. The most active of the 6-benzyl-1,3-benzodioxoles tested were as effective as podophyllotoxin as experimental antitumor agents in vivo, but larger doses were required. Three of the P388-active series members were active against the in vitro astrocytoma assay, which detects compounds that interfere with or bind to tubulin.

  DOI：

  10.1021/jm00393a012

文献信息

• In vivo antitumor activity of 6-benzyl-1,3-benzodioxole derivatives against the P388, L1210, B16, and M5076 murine models
  作者：Leonard Jurd、V. L. Narayanan、Kenneth D. Paull

  DOI：10.1021/jm00393a012

  日期：1987.10

  A series of 6-benzyl-1,3-benzodioxoles have been synthesized and evaluated against the in vivo ip P388 murine lymphocytic leukemia. Selected activities against this system were tested against the additional in vivo systems L1210, B16, M5076, and MX1. The most active of the 6-benzyl-1,3-benzodioxoles tested were as effective as podophyllotoxin as experimental antitumor agents in vivo, but larger doses were required. Three of the P388-active series members were active against the in vitro astrocytoma assay, which detects compounds that interfere with or bind to tubulin.