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Chemical Structure| 485-80-3 Chemical Structure| 485-80-3

Structure of 485-80-3

Chemical Structure| 485-80-3

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Jiang, Yining ;

Abstract: Reactive oxygen species (ROS) such as the hydroxyl radical (•OH) play important beneficial roles in biological processes, while their uncontrolled production and reactivity are determining factors in pathophysiology. In this thesis, I focused on the radiolytic oxidation of small model systems of biological interest. The methionine-containing peptides and the derivatives of DNA nucleobases were investigated. Both are susceptible to ROS and play a key role in the correct functioning of the body. Although the identification of the post-translational modifications (PTMs) in peptides and the oxidative lesions in DNA was achieved by various classical methods, the oxidation processes of these molecules are still not fully understood and little is known about the relationship between the radicals formed during oxidation and the final products. Infrared Multiple Photon Dissociation (IRMPD) spectroscopy is a widely used experimental method of probing the structures of ions in the gas phase. Tandem mass spectrometry (MS/MS) combined with IRMPD spectroscopy was employed in this thesis to investigate the diagnostic infrared spectral signatures of these oxidative modifications in different molecular systems and to better understand the hydroxyl radical-induced oxidation mechanisms. By combining with quantumchemical calculations, direct information on geometries of populated conformations can be obtained. Multiple factors involved in the Met oxidation process have been systematically investigated. DNA oxidative lesions have been successfully probed by IRMPD spectroscopy for gaining direct structural information.

Keywords: Methionine ; DNA ; radiolytic oxidation ; tandem mass spectrometry ; IRMPD spectroscopy

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Product Details of [ 485-80-3 ]

CAS No. :485-80-3
Formula : C15H23N6O5S
M.W : 399.45
SMILES Code : O[C@@H]([C@H]([C@H](N1C=NC2=C(N=CN=C21)N)O3)O)[C@H]3C[S+](CC[C@H](N)C(O)=O)C
MDL No. :N/A
Boiling Point : No data available

Safety of [ 485-80-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 485-80-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 485-80-3 ]

[ 485-80-3 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 485-80-3 ]
  • [ 863-03-6 ]
  • [ 108907-44-4 ]
  • 2
  • malonyl-CoA [ No CAS ]
  • [ 485-80-3 ]
  • [ 675-10-5 ]
  • [ 50405-45-3 ]
  • 3
  • [ 491-70-3 ]
  • [ 485-80-3 ]
  • [ 491-71-4 ]
YieldReaction ConditionsOperation in experiment
With DL-dithiothreitol; recombinant Plagiochasma appendiculatum flavone 6-O-methyltransferase; magnesium chloride; In aq. buffer; at 37℃; for 0.5h;pH 7.5;Enzymatic reaction; General procedure: To demonstrate PaF6OMT activity and identify its preferredsubstrates, the enzyme was presented with variousflavonoids, phenylpropanoids, and coumarins. The 50-lLreactions used to test the activity of the purified enzymeeach comprised 200 mM Tris/HCl (pH 7.5), 4 mM DTT,2 mM MgCl2, 0.5 mM SAM, and 0.2 mM substrate and2 mug recombinant proteins. After incubating for 30 min at37 C, the reactions were stopped by the addition of anequal volume of acetonitrile. HPLC was performed using areverse phase 4.6 9 150 mm XDS-C18 column (Agilent,Palo Alto, CA, USA). The methanol (in water plus 0.1%(v/v) glacial acetic acid) gradient was 45-75% (v/v) for baicaleinand scutellarein, 35-65% (v/v) for the other flavonoids,and 20-50% (v/v) for the phenylpropanoids andcoumarins. The flow rate was 1.0 mL*min-1. The reactionproducts from baicalein and scutellarein were identified onthe basis of their NMR spectrum, as captured on anAV 600 spectrometer (Bruker, Karlsruhe, Germany) inDMSO-d6 with TMS as internal standard.
With Citrus reticulata O-methyltransferase gene-pET32a recombinant; In aq. buffer; at 37℃; for 2h;pH 8.0;Enzymatic reaction;Kinetics; General procedure: A wide range of flavonoids along with caeic acid were incubated with recombinantCrOMT2-pET32a to explore the substrate specificity. A final volume of 200 L was used with 1mM SAM as methyl donor, 200 M phenolic substrates, and 25 muL purified enzyme in 50 mM Tris-HClbuer, pH 8.0. Assays were conducted for 2 h at 37 C and quenched with 200 muL methanol. The reactionproducts were filtered through a 0.22 mum filter and were analyzed by HPLC and mass spectrometry asdescribed below.
  • 4
  • [ 33537-99-4 ]
  • [ 485-80-3 ]
  • 6‐chloro‐N‐methyl‐1,2,3,4‐tetrahydroisoquinoline [ No CAS ]
 

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