4-Amino-2,2-dimethyl-chroman-4,7-dicarboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-Amino-2,2-dimethyl-chroman-4,7-dicarboxylic acid
• 英文别名: 4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid
• 化学式: C₁₃H₁₅NO₅
• 分子量: 265.266
• InChiKey: AADMYFPTDLOICR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 2,2-dimethyl-4-oxochromane-7-carboxylate 在 barium dihydroxide 、 Dowex resin 、 碳酸氢铵 作用下， 生成 4-Amino-2,2-dimethyl-chroman-4,7-dicarboxylic acid
  参考文献：
  名称：

  Synthesis and biological activity of cyclic analogues of MPPG and MCPG as metabotropic glutamate receptor antagonists

  摘要：

  The synthesis of two rigidified phenylglycine analogues is disclosed. The cyclic analogue 1 of (R,S)-alpha-methyl-4-phosphonophenylglycine (MPPG) is shown to be a particularly interesting pharmacological tool, for it is a group II selective mGluR antagonist that possesses an inverse agonist-like action

  DOI：

  10.1016/s0960-894x(97)00177-7

文献信息

• Synthesis and biological activity of cyclic analogues of MPPG and MCPG as metabotropic glutamate receptor antagonists
  作者：Dawei Ma、Hongqi Tian、Hongbin Sun、Alan P. Kozikowshi、Sergey Pshenichkin、Jarda T. Wroblewski

  DOI：10.1016/s0960-894x(97)00177-7

  日期：1997.5

  The synthesis of two rigidified phenylglycine analogues is disclosed. The cyclic analogue 1 of (R,S)-alpha-methyl-4-phosphonophenylglycine (MPPG) is shown to be a particularly interesting pharmacological tool, for it is a group II selective mGluR antagonist that possesses an inverse agonist-like action