bis((5-((benzylthio)methyl)-2,2-dimethyl-1,3-dioxan-5-yl)methyl)sulfane | 1335107-23-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: bis((5-((benzylthio)methyl)-2,2-dimethyl-1,3-dioxan-5-yl)methyl)sulfane
• CAS: 1335107-23-7
• 化学式: C₃₀H₄₂O₄S₃
• 分子量: 562.859
• InChiKey: XREGCVBHENIGGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.13
• 重原子数：
  37.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  36.92
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  bis((5-((benzylthio)methyl)-2,2-dimethyl-1,3-dioxan-5-yl)methyl)sulfane 在 氨 、 sodium 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以83%的产率得到(5,5'-(thiobis(methylene))bis(2,2-dimethyl-1,3-dioxane-5,5-diyl))dimethanethiol
  参考文献：
  名称：

  Designed To Dissolve: Suppression of Colloidal Aggregation of Cu(I)-Selective Fluorescent Probes in Aqueous Buffer and In-Gel Detection of a Metallochaperone

  摘要：

  Due to the lipophilicity of the metal-ion receptor, previously reported Cu(I)-selective fluorescent probes form colloidal aggregates, as revealed by dynamic light scattering. To address this problem, we have developed a hydrophilic triarylpyrazoline-based fluorescent probe, CTAP-2, that dissolves directly in water and shows a rapid, reversible, and highly selective 65-fold fluorescence turn-on response to Cu(I) in aqueous solution. CTAP-2 proved to be sufficiently sensitive for direct in-gel detection of Cu(I) bound to the metallochaperone Atoxl, demonstrating the potential for cation-selective fluorescent probes to serve as tools in metalloproteomics for identifying proteins with readily accessible metal-binding sites.

  DOI：

  10.1021/ja207004v
• 作为产物：
  描述：

  5-((benzylthio)methyl)-5-bromomethyl-2,2-dimethyl-1,3-dioxane 在 sodiumsulfide nonahydrate 、 碳酸氢钠 、 potassium iodide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以93%的产率得到bis((5-((benzylthio)methyl)-2,2-dimethyl-1,3-dioxan-5-yl)methyl)sulfane
  参考文献：
  名称：

  Designed To Dissolve: Suppression of Colloidal Aggregation of Cu(I)-Selective Fluorescent Probes in Aqueous Buffer and In-Gel Detection of a Metallochaperone

  摘要：

  Due to the lipophilicity of the metal-ion receptor, previously reported Cu(I)-selective fluorescent probes form colloidal aggregates, as revealed by dynamic light scattering. To address this problem, we have developed a hydrophilic triarylpyrazoline-based fluorescent probe, CTAP-2, that dissolves directly in water and shows a rapid, reversible, and highly selective 65-fold fluorescence turn-on response to Cu(I) in aqueous solution. CTAP-2 proved to be sufficiently sensitive for direct in-gel detection of Cu(I) bound to the metallochaperone Atoxl, demonstrating the potential for cation-selective fluorescent probes to serve as tools in metalloproteomics for identifying proteins with readily accessible metal-binding sites.

  DOI：

  10.1021/ja207004v