4-oxo-5-[(4,4,4-trifluoro-1-oxobutyl)amino]-6-hydroxyhexanoic acid | 1310451-09-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-oxo-5-[(4,4,4-trifluoro-1-oxobutyl)amino]-6-hydroxyhexanoic acid
• 英文别名: 6-Hydroxy-4-oxo-5-(4,4,4-trifluorobutanoylamino)hexanoic acid
• CAS: 1310451-09-2
• 化学式: C₁₀H₁₄F₃NO₅
• 分子量: 285.22
• InChiKey: JHZKANYIGTWSOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-oxo-5-[(4,4,4-trifluoro-1-oxobutyl)amino]-6-hydroxyhexanoic acid 在 4-二甲氨基吡啶 、 四甲基胍 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 4-oxo-5-[(4,4,4-trifluoro-1-oxobutyl)amino]-5-hexenoic acid
  参考文献：
  名称：

  Synthesis and antibacterial activity of alaremycin derivatives for the porphobilinogen synthase

  摘要：

  The preparation and the antibacterial activity of alaremycin derivatives such as their CF(3)-derivatives and (R)- and (S)-4-oxo-5-acetylaminohexanoic acid for the porphobilinogen synthase (PBGS), were described. The IC(50) values of the antibacterial activity of the prepared materials for the inhibitor of PBGS, were determined using PBGS assay. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.106
• 作为产物：
  描述：

  tert-butyl 4-oxo-5-[(4,4,4-trifluoro-1-oxobutyl)amino]-6-tert-butoxyhexanoate 在 三氟乙酸 作用下， 以 水 为溶剂， 反应 3.0h， 以88%的产率得到4-oxo-5-[(4,4,4-trifluoro-1-oxobutyl)amino]-6-hydroxyhexanoic acid
  参考文献：
  名称：

  Synthesis and antibacterial activity of alaremycin derivatives for the porphobilinogen synthase

  摘要：

  The preparation and the antibacterial activity of alaremycin derivatives such as their CF(3)-derivatives and (R)- and (S)-4-oxo-5-acetylaminohexanoic acid for the porphobilinogen synthase (PBGS), were described. The IC(50) values of the antibacterial activity of the prepared materials for the inhibitor of PBGS, were determined using PBGS assay. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.106