ethyl (E)-2-[(E)-2-[4-[[2-(7-azidoheptanoylamino)acetyl]amino]phenyl]ethenyl]-4-oxobut-2-enoate | 1236969-90-6

• 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: ethyl (E)-2-[(E)-2-[4-[[2-(7-azidoheptanoylamino)acetyl]amino]phenyl]ethenyl]-4-oxobut-2-enoate
• CAS: 1236969-90-6
• 化学式: C₂₃H₂₉N₅O₅
• 分子量: 455.514
• InChiKey: CDLFYGWLRVQUBW-SFRRXYARSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  33
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  116
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl (E)-2-[(E)-2-[4-[[2-(7-azidoheptanoylamino)acetyl]amino]phenyl]ethenyl]-4-oxobut-2-enoate 、 在 sodium chloride 作用下， 以 二甲基亚砜 为溶剂， 反应 0.33h， 生成
  参考文献：
  名称：

  A Combined 6π-Azaelectrocyclization/Staudinger Approach to Protein and Cell Engineering: Noninvasive Tumor Targeting byN-Glycan-Engineered Lymphocytes

  摘要：

  [image omitted]Graphical Abstract Combined azaelectrocyclization and Staudinger ligation allowed proteins and living cells to be modified by small molecules (i.e., biotin or N-glycans). Chemically engineered lymphocytes modified by complex-type N-glycan targeted DLD-1 tissues implanted in nude mice at the whole-body level.

  DOI：

  10.1080/07328303.2010.483042
• 作为产物：
  描述：

  ethyl (E,E)-4-hydroxy-2-[4-(2-aminoacetamido)styryl]but-2-enoate 在 IBX-resin 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 ethyl (E)-2-[(E)-2-[4-[[2-(7-azidoheptanoylamino)acetyl]amino]phenyl]ethenyl]-4-oxobut-2-enoate
  参考文献：
  名称：

  A Combined 6π-Azaelectrocyclization/Staudinger Approach to Protein and Cell Engineering: Noninvasive Tumor Targeting byN-Glycan-Engineered Lymphocytes

  摘要：

  [image omitted]Graphical Abstract Combined azaelectrocyclization and Staudinger ligation allowed proteins and living cells to be modified by small molecules (i.e., biotin or N-glycans). Chemically engineered lymphocytes modified by complex-type N-glycan targeted DLD-1 tissues implanted in nude mice at the whole-body level.

  DOI：

  10.1080/07328303.2010.483042

文献信息

• A Combined 6π-Azaelectrocyclization/Staudinger Approach to Protein and Cell Engineering: Noninvasive Tumor Targeting by<i>N</i>-Glycan-Engineered Lymphocytes
  作者：Katsunori Tanaka、Kaori Minami、Tsuyoshi Tahara、Eric R. O. Siwu、Koichi Koyama、Satoshi Nozaki、Hirotaka Onoe、Yasuyoshi Watanabe、Koichi Fukase

  DOI：10.1080/07328303.2010.483042

  日期：2010.4

  [image omitted]Graphical Abstract Combined azaelectrocyclization and Staudinger ligation allowed proteins and living cells to be modified by small molecules (i.e., biotin or N-glycans). Chemically engineered lymphocytes modified by complex-type N-glycan targeted DLD-1 tissues implanted in nude mice at the whole-body level.