| 1416169-96-4

• CAS: 1416169-96-4
• 化学式: C₂₈H₃₀O₈
• 分子量: 494.541
• InChiKey: AOFIOFNKBODEOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  36.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  105.2
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  5-己炔酸 在 dipotassium peroxodisulfate 、 copper(l) iodide 、 nickel(II) chloride hexahydrate 、 四甲基乙二胺 、 silver nitrate 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 26.0h， 生成
  参考文献：
  名称：

  Alkyne-Tag Raman Imaging for Visualization of Mobile Small Molecules in Live Cells

  摘要：

  Alkyne has a unique Raman band that does not overlap with Raman scattering from any endogenous molecule in live cells. Here, we show that alkyne-tag Raman imaging (ATRI) is a promising approach for visualizing nonimmobilized small molecules in live cells. An examination of structure Raman shift/intensity relationships revealed that alkynes conjugated to an aromatic ring and/or to a second allcyne (conjugated diynes) have strong Raman signals in the cellular silent region and can be excellent tags. Using these design guidelines, we synthesized and imaged a series of alkyne-tagged coenzyme Q (CoQ) analogues in live cells. Cellular concentrations of diyne-tagged Coganalogues could be semiquantitatively estimated. Finally, simultaneous imaging of two small molecules, 5-ethynyl-2 '-deoxyuridine (EdU) and a Cog analogue, with distinct Raman tags was demonstrated.

  DOI：

  10.1021/ja308529n