Mal-TMpybox | 1196894-86-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Mal-TMpybox
• 英文别名: 1-[3-[2,6-bis(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-4-yl]oxypropyl]pyrrole-2,5-dione
• CAS: 1196894-86-6
• 化学式: C₂₂H₂₆N₄O₅
• 分子量: 426.472
• InChiKey: CJWVEEQBIXJSHG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  DL-半胱氨酸 、 Mal-TMpybox 以 水 、 二甲基亚砜 为溶剂， 生成
  参考文献：
  名称：

  New applications of multiply charged ionic probes as cleavable cross-linker and polymerization reagent

  摘要：

  We have designed new cleavable cross-linkers for biomolecules containing the 2,6-bis(oxazolinyl)pyridine (pybox) lanthanum complex. These species can effectively donate multiple charges to afford cross-linker ions for target biomolecules. The cross-linkers are cleaved easily by adding water. Moreover, we were able to detect chain structures of target molecules, including biomolecules and carbon clusters, such as fullerene C-60, by the addition of some MS ionic probes. Cold-spray ionization mass spectrometry demonstrated the applications of multiply charged ionic probes as cleavable cross-linkers and polymerization reagents. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.099
• 作为产物：
  描述：

  2-(3-((2,6-bis(4,4-dimethyl-4,5-dihydrooxazol-2-yl)pyridin-4-yl)oxy)propyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione 以 甲苯 为溶剂， 反应 12.0h， 以99%的产率得到Mal-TMpybox
  参考文献：
  名称：

  Ionic probe attachment ionization mass spectrometry

  摘要：

  A new ionization method that uses metal-complex-based ionization probes containing the 2,6-bis(oxazolinyl)pyridine (pybox) ligand is presented. This method was proven to effectively ionize large complex molecules, including biomolecules. The preparation of the charged probes and their application to the ionization of biomolecules using cold-spray ionization mass spectrometry are shown. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.09.021