4-pyridylphenyl methanethiosulfonate | 917572-05-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-pyridylphenyl methanethiosulfonate
• 英文别名: 4-(4-Methylsulfonylsulfanylphenyl)pyridine
• CAS: 917572-05-5
• 化学式: C₁₂H₁₁NO₂S₂
• 分子量: 265.357
• InChiKey: XARXMBHXCQIJRI-UHFFFAOYSA-N

物化性质

• 沸点：
  444.0±47.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  80.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-pyridylphenyl methanethiosulfonate 、 碘甲烷 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 4-(1-Methylpyridinium)phenylmethanethiosulphonate iodide
  参考文献：
  名称：

  1-Methylpyridinium-4-(4-phenylmethanethiosulfonate) iodide, MTS-MPP+, a novel scanning cysteine accessibility method (SCAM) reagent for monoamine transporter studies

  摘要：

  A novel substituted cysteine accessibility method (SCAM) reagent was developed for monoamine uptake transporters. The new reagent, MTS-MPP+, was a derivative of the neurotoxin and transporter substrate MPP+. MTS-MPP+ labeled cysteine residues introduced into the serotonin transporter protein. Although it did not prove to be a substrate, as is MPP+, it appears to label cysteine residues lining the permeation pore of the transporter more readily than currently available nonspecific SCAM reagents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.09.058
• 作为产物：
  描述：

  4-甲硫基苯硼酸 在 四(三苯基膦)钯 叔丁基过氧化氢 、 氢氧化钾 、 vanadyl acetylacetonate 、 四丁基溴化铵 、 2-甲基-2-丙硫醇钠盐 、 silver nitrate 作用下， 以 乙二醇二甲醚 、 癸烷 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 54.0h， 生成 4-pyridylphenyl methanethiosulfonate
  参考文献：
  名称：

  1-Methylpyridinium-4-(4-phenylmethanethiosulfonate) iodide, MTS-MPP+, a novel scanning cysteine accessibility method (SCAM) reagent for monoamine transporter studies

  摘要：

  A novel substituted cysteine accessibility method (SCAM) reagent was developed for monoamine uptake transporters. The new reagent, MTS-MPP+, was a derivative of the neurotoxin and transporter substrate MPP+. MTS-MPP+ labeled cysteine residues introduced into the serotonin transporter protein. Although it did not prove to be a substrate, as is MPP+, it appears to label cysteine residues lining the permeation pore of the transporter more readily than currently available nonspecific SCAM reagents. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.09.058