6-Hydroxy-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid | 247578-22-9

• 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: 6-Hydroxy-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
• 英文别名: 6-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
• CAS: 247578-22-9
• 化学式: C₈H₁₂F₃NO₄
• 分子量: 243.183
• InChiKey: DZELFFFLZSAKHP-UHFFFAOYSA-N

物化性质

• 沸点：
  394.9±42.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  86.6
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-Hydroxy-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid 在 acylase 1 作用下， 生成 L-6-羟基正亮氨酸
  参考文献：
  名称：

  Hydroxyoxazolidines as α-aminoacetaldehyde equivalents: Novel inhibitors of calpain

  摘要：

  The synthesis of [1-[(5-hydroxy-4-(phenylmethyl)-3-oxazolidinyl)carbonyl]-2-ethylpropyl] carbamic acid phenylmethyl ester (2; MDL 104,903), a potent inhibitor of calpain, is described. Synthesis of related compounds, which offer insights into the mechanism of action for 2, are also described, as is an O-acetyl prodrug derivative of 2. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00391-1
• 作为产物：
  描述：

  5-D-羟基丁基海因 在 barium dihydroxide 作用下， 生成 6-Hydroxy-2-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
  参考文献：
  名称：

  Hydroxyoxazolidines as α-aminoacetaldehyde equivalents: Novel inhibitors of calpain

  摘要：

  The synthesis of [1-[(5-hydroxy-4-(phenylmethyl)-3-oxazolidinyl)carbonyl]-2-ethylpropyl] carbamic acid phenylmethyl ester (2; MDL 104,903), a potent inhibitor of calpain, is described. Synthesis of related compounds, which offer insights into the mechanism of action for 2, are also described, as is an O-acetyl prodrug derivative of 2. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00391-1