acetic acid 3-acetoxy-2-acetoxymethyl-2-(2-amino-acetylamino)-propyl ester | 946148-78-3

• 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: acetic acid 3-acetoxy-2-acetoxymethyl-2-(2-amino-acetylamino)-propyl ester
• 英文别名: [3-Acetyloxy-2-(acetyloxymethyl)-2-[(2-aminoacetyl)amino]propyl] acetate
• CAS: 946148-78-3
• 化学式: C₁₂H₂₀N₂O₇
• 分子量: 304.3
• InChiKey: PLHUNVKMYZQQHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  21
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  acetic acid 3-acetoxy-2-acetoxymethyl-2-(2-amino-acetylamino)-propyl ester 在 sodium methylate 甲醇 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 56.0h， 生成
  参考文献：
  名称：

  Fine-Tuning the Amphiphilicity:  A Crucial Parameter in the Design of Potent α-Phenyl-N-tert-butylnitrone Analogues

  摘要：

  A new series of hydrophilic, lipophilic, and amphiphilic alpha-phenyl-N-tert-butylnitrone (PBN) derivatives were synthesized to explore the relationship between their hydrophilic-lipophilic properties and antioxidant potency. Very potent protective effects of amphiphilic lactobionamide and tris(hydroxymethyl)aminomethane PBN derivatives were observed in mitochondrial preparations, in cell cultures, and in rotifers exposed to unspecific and mitochondria targeted oxidotoxins.

  DOI：

  10.1021/jm0706968
• 作为产物：
  描述：

  acetic acid 3-acetoxy-2-acetoxymethyl-2-(2-benzyloxycarbonylamino-acetylamino)-propyl ester 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 12.0h， 生成 acetic acid 3-acetoxy-2-acetoxymethyl-2-(2-amino-acetylamino)-propyl ester
  参考文献：
  名称：

  Fine-Tuning the Amphiphilicity:  A Crucial Parameter in the Design of Potent α-Phenyl-N-tert-butylnitrone Analogues

  摘要：

  A new series of hydrophilic, lipophilic, and amphiphilic alpha-phenyl-N-tert-butylnitrone (PBN) derivatives were synthesized to explore the relationship between their hydrophilic-lipophilic properties and antioxidant potency. Very potent protective effects of amphiphilic lactobionamide and tris(hydroxymethyl)aminomethane PBN derivatives were observed in mitochondrial preparations, in cell cultures, and in rotifers exposed to unspecific and mitochondria targeted oxidotoxins.

  DOI：

  10.1021/jm0706968