ethyl (4Z)-2-[(diethoxyacetyl)amino]hex-4-enoate | 1269768-16-2

• 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: ethyl (4Z)-2-[(diethoxyacetyl)amino]hex-4-enoate
• 英文别名: ethyl (Z)-2-[(2,2-diethoxyacetyl)amino]hex-4-enoate
• CAS: 1269768-16-2
• 化学式: C₁₄H₂₅NO₅
• 分子量: 287.356
• InChiKey: HJMUJWXBELKOQR-UITAMQMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl (4Z)-2-[(diethoxyacetyl)amino]hex-4-enoate 在 吡啶 、 4-二甲氨基吡啶 、 sodium hypochlorite 、 盐酸羟胺 、 水 、 碘 、 potassium carbonate 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 丙酮 为溶剂， 反应 15.0h， 生成
  参考文献：
  名称：

  Synthesis of new isoxazoline-based acidic amino acids and investigation of their affinity and selectivity profile at ionotropic glutamate receptors

  摘要：

  The synthesis of four new isoxazoline-based amino acids being analogues of previously described glutamate receptor ligands is reported and their affinity for ionotropic glutamate receptors is analyzed in comparison with that of selected model compounds. Molecular modelling investigations have been carried out to rationalize the interaction with the NMDA receptors. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.12.020
• 作为产物：
  描述：

  2,2-diethoxy acetic acid 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 生成 ethyl (4Z)-2-[(diethoxyacetyl)amino]hex-4-enoate
  参考文献：
  名称：

  Synthesis of new isoxazoline-based acidic amino acids and investigation of their affinity and selectivity profile at ionotropic glutamate receptors

  摘要：

  The synthesis of four new isoxazoline-based amino acids being analogues of previously described glutamate receptor ligands is reported and their affinity for ionotropic glutamate receptors is analyzed in comparison with that of selected model compounds. Molecular modelling investigations have been carried out to rationalize the interaction with the NMDA receptors. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.12.020

文献信息

• Synthesis of new isoxazoline-based acidic amino acids and investigation of their affinity and selectivity profile at ionotropic glutamate receptors
  作者：Andrea Pinto、Paola Conti、Giovanni Grazioso、Lucia Tamborini、Ulf Madsen、Birgitte Nielsen、Carlo De Micheli

  DOI：10.1016/j.ejmech.2010.12.020

  日期：2011.2

  The synthesis of four new isoxazoline-based amino acids being analogues of previously described glutamate receptor ligands is reported and their affinity for ionotropic glutamate receptors is analyzed in comparison with that of selected model compounds. Molecular modelling investigations have been carried out to rationalize the interaction with the NMDA receptors. (C) 2010 Elsevier Masson SAS. All rights reserved.