4-oxo-5-[(4,4,4-trifluoro-1-oxobutyl)amino]-5-hexenoic acid | 1310450-96-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 4-oxo-5-[(4,4,4-trifluoro-1-oxobutyl)amino]-5-hexenoic acid
• 英文别名: 4-oxo-5-(4,4,4-trifluorobutanoylamino)hex-5-enoic acid
• CAS: 1310450-96-4
• 化学式: C₁₀H₁₂F₃NO₄
• 分子量: 267.205
• InChiKey: QNYNSNTZXRAGKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.5
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  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

文献信息

• Synthesis and antibacterial activity of alaremycin derivatives for the porphobilinogen synthase
  作者：Noritaka Iwai、Kyosuke Nakayama、Jumpei Oku、Tomoya Kitazume

  DOI：10.1016/j.bmcl.2011.03.106

  日期：2011.5

  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.