2-Acetylamino-3-[4-(3-methyl-but-2-enyloxy)-phenyl]-propionic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-Acetylamino-3-[4-(3-methyl-but-2-enyloxy)-phenyl]-propionic acid
• 英文别名: 2-acetamido-3-[4-(3-methylbut-2-enoxy)phenyl]propanoic acid
• 化学式: C₁₆H₂₁NO₄
• 分子量: 291.347
• InChiKey: YHKFAYFIUKFOFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  75.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 2-Acetylamino-3-[4-(3-methyl-but-2-enyloxy)-phenyl]-propionic acid 以 甲醇 、 乙醚 为溶剂， 以1 mg的产率得到2-Acetylamino-3-[4-(3-methyl-but-2-enyloxy)-phenyl]-propionic acid methyl ester
  参考文献：
  名称：

  A Novel 5-HT Receptor Ligand and Related Cytotoxic Compounds from an Acid Mine Waste Extremophile

  摘要：

  Berkeley Pit Lake in Butte, Montana, is an acid mine waste reservoir rich in toxic metals. A Pithomyces sp. isolated from the Pit Lake yielded three tyrosine derivatives (1-3), one of which acts as a 5-HT(2a) receptor ligand. This type of activity has been associated with migraine preventative and antihypertensive drugs. The isolation and characterization of compounds 1-3 and three sesquiterpenes (5-7) that have been isolated previously from higher plants are reported here.

  DOI：

  10.1021/np030044w