mono-[13C]-1,2-dibromoethane | 86576-63-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: mono-[13C]-1,2-dibromoethane
• 英文别名: [1-¹³C]-1,2-dibromoethane；<¹³C>-1,2-Dibromethan；1,2-dibromo-[¹³C₁]ethane；1,2-dibromo(113C)ethane
• CAS: 86576-63-8
• 化学式: C₂H₄Br₂
• 分子量: 188.851
• InChiKey: PAAZPARNPHGIKF-OUBTZVSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.78
• 重原子数：
  4.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  mono-[13C]-1,2-dibromoethane 在 氢氧化钾 作用下， 以 乙醇 为溶剂， 生成 mono-[13C]-acetylene
  参考文献：
  名称：

  12C13CH2的红外光谱：最高v4+v5=4的弯曲态

  摘要：

  The vibration-rotation spectra of C-13 monosubstituted acetylene, (CCH2)-C-12-C-13, have been recorded in the region between 450 and 3200 cm(-1) with an effective resolution ranging from 0.004 to 0.006 cm(-1). A total of about 5300 rovibrational transitions have been assigned to 53 bands involving the bending states up to nu(t) = nu(4) + nu(5) = 4, allowing the characterization of the ground state and of 30 vibrationally excited states. All the bands involving states up to nu(t) = 3 have been analyzed simultaneously by adopting a model Hamiltonian which takes into account the vibration and rotation l-type resonances. The derived spectroscopic parameters reproduce the transition wavenumbers with a RMS value of the order of the experimental uncertainty. Using the same model larger discrepancies between observed and calculated values have been obtained for transitions involving states with nu(t) = 4. These could be satisfactorily reproduced by only adopting, in addition to the previously determined parameters which were constrained in the analysis, a set of effective constants for each vibrational manifold. (C) 2002 Elsevier Science (USA).

  DOI：

  10.1006/jmsp.2002.8545
• 作为产物：
  描述：

  乙撑-13C1 在 溴 作用下， 生成 mono-[13C]-1,2-dibromoethane
  参考文献：
  名称：

  12C13CH2的红外光谱：最高v4+v5=4的弯曲态

  摘要：

  The vibration-rotation spectra of C-13 monosubstituted acetylene, (CCH2)-C-12-C-13, have been recorded in the region between 450 and 3200 cm(-1) with an effective resolution ranging from 0.004 to 0.006 cm(-1). A total of about 5300 rovibrational transitions have been assigned to 53 bands involving the bending states up to nu(t) = nu(4) + nu(5) = 4, allowing the characterization of the ground state and of 30 vibrationally excited states. All the bands involving states up to nu(t) = 3 have been analyzed simultaneously by adopting a model Hamiltonian which takes into account the vibration and rotation l-type resonances. The derived spectroscopic parameters reproduce the transition wavenumbers with a RMS value of the order of the experimental uncertainty. Using the same model larger discrepancies between observed and calculated values have been obtained for transitions involving states with nu(t) = 4. These could be satisfactorily reproduced by only adopting, in addition to the previously determined parameters which were constrained in the analysis, a set of effective constants for each vibrational manifold. (C) 2002 Elsevier Science (USA).

  DOI：

  10.1006/jmsp.2002.8545

文献信息

• ESI-Q-TOF-MS determination of polyamines and related enzyme activity for elucidating cellular polyamine metabolism
  作者：Shun-suke Moriya、Keijiro Samejima、Hideharu Taira、Kyoko Hiramatsu、Masao Kawakita

  DOI：10.1016/j.ab.2020.113831

  日期：2020.10

  We developed a new procedure for the comprehensive analysis of metabolites and enzymes involved in polyamine metabolism pathways. The procedure utilizes stable isotope-labeled polyamines and directly and precisely determines labeled products from enzymatic reactions by ESI-Q-TOF-MS. The activity of different enzymes could be determined in essentially the same manner by suitably adjusting the reaction conditions for each individual enzyme. We applied the procedure to extracts of regenerating rat liver and analyzed the changes in polyaminemetabolizing enzymes and polyamine contents during recovery from partial hepatectomy. A general outline of polyamine metabolism and information of polyamine dynamics were obtained. This kind of comprehensive information would be valuable in unifying detailed but fragmentary information obtained through conventional analyses focusing on one or a few enzymes and on a limited aspect of polyamine metabolic pathway.
• COLBORN, R. E.;VOLLHARDT, K. P. C., J. LABELLED COMPOUNDS AND RADIOPHARM., 1983, 20, N 2, 257-267
  作者：COLBORN, R. E.、VOLLHARDT, K. P. C.

  DOI：——

  日期：——