3-amino-3-(4-hydroxy-2',3',4'-trimethoxybiphenyl-2-yl)propanoic acid | 1373112-95-8

• 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: 3-amino-3-(4-hydroxy-2',3',4'-trimethoxybiphenyl-2-yl)propanoic acid
• CAS: 1373112-95-8
• 化学式: C₁₈H₂₁NO₆
• 分子量: 347.368
• InChiKey: OVDIYDXTWKBDIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  25.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  111.24
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  3-amino-3-(4-hydroxy-2',3',4'-trimethoxybiphenyl-2-yl)propanoic acid 在 sodium tetrahydroborate 、 三氟乙酸 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 (+/-)-trans-N-(3,7-dihydroxy-9,10,11-trimethoxy-6,7-dihydro-5H-di-benzo[a,c][7]cyclohepten-5-yl)-2,2,2-trifluoroacetamide 、 (+/-)-cis-N-(3,7-dihydroxy-9,10,11-trimethoxy-6,7-dihydro-5H-di-benzo[a,c][7]cyclohepten-5-yl)-2,2,2-trifluoroacetamide
  参考文献：
  名称：

  Synthesis of novel 7-oxo and 7-hydroxy trifluoroallocolchicinoids with cytotoxic effect

  摘要：

  The synthesis of 7-oxo and 7-hydroxy trifluoroallocolchicinoids was achieved through the intramolecular cyclization of o-phenyl-beta-phenylalanines. The resulting compounds were evaluated for their cytotoxic activity against KB cells and their inhibitory effect towards the polymerization of tubulin. The results yielded some potent cytotoxic compounds with correlated partial antitubulin effect. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.02.043
• 作为产物：
  描述：

  2-溴-5-羟基苯甲醛 在 四(三苯基膦)钯 、 potassium phosphate monohydrate 、 ammonium acetate 作用下， 以 乙二醇二甲醚 、 乙醇 为溶剂， 反应 21.5h， 生成 3-amino-3-(4-hydroxy-2',3',4'-trimethoxybiphenyl-2-yl)propanoic acid
  参考文献：
  名称：

  Synthesis of novel 7-oxo and 7-hydroxy trifluoroallocolchicinoids with cytotoxic effect

  摘要：

  The synthesis of 7-oxo and 7-hydroxy trifluoroallocolchicinoids was achieved through the intramolecular cyclization of o-phenyl-beta-phenylalanines. The resulting compounds were evaluated for their cytotoxic activity against KB cells and their inhibitory effect towards the polymerization of tubulin. The results yielded some potent cytotoxic compounds with correlated partial antitubulin effect. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.02.043