7-azido-3-oxaheptanoic acid | 736175-89-6

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 7-azido-3-oxaheptanoic acid
• 英文别名: 2-(4-Azidobutoxy)acetic acid；2-(4-azidobutoxy)acetic acid
• CAS: 736175-89-6
• 化学式: C₆H₁₁N₃O₃
• 分子量: 173.172
• InChiKey: VXMPBLGVFZGKCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.18
• 重原子数：
  12.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  95.29
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (2S,3S)-3-(乙氧羰基)环氧乙烷-2-羧酸 、 Fmoc-O-叔丁基-L-酪氨酸 、 D-生物素 、 7-azido-3-oxaheptanoic acid 、 alkaline earth salt of/the/ methylsulfuric acid 生成
  参考文献：
  名称：

  Development of an isotope-coded activity-based probe for the quantitative profiling of cysteine proteases

  摘要：

  Quantification studies of complex protein mixtures have been restricted mainly to whole cell extracts. Here we describe the synthesis of two sets of isotope-coded activity-based probes that allow quantitative functional proteomics experiments on the cathepsins. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.046
• 作为产物：
  描述：

  t-butyl 2-(4-azidobutoxy)acetate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到7-azido-3-oxaheptanoic acid
  参考文献：
  名称：

  Development of an isotope-coded activity-based probe for the quantitative profiling of cysteine proteases

  摘要：

  Quantification studies of complex protein mixtures have been restricted mainly to whole cell extracts. Here we describe the synthesis of two sets of isotope-coded activity-based probes that allow quantitative functional proteomics experiments on the cathepsins. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.046

文献信息

• Development of an isotope-coded activity-based probe for the quantitative profiling of cysteine proteases
  作者：Paul F. van Swieten、Rene Maehr、Adrianus M.C.H. van den Nieuwendijk、Benedikt M. Kessler、Michael Reich、Chung-Sing Wong、Hubert Kalbacher、Michiel A. Leeuwenburgh、Christoph Driessen、Gijsbert A. van der Marel、Hidde L. Ploegh、Herman S. Overkleeft

  DOI：10.1016/j.bmcl.2004.04.046

  日期：2004.6

  Quantification studies of complex protein mixtures have been restricted mainly to whole cell extracts. Here we describe the synthesis of two sets of isotope-coded activity-based probes that allow quantitative functional proteomics experiments on the cathepsins. (C) 2004 Elsevier Ltd. All rights reserved.