5105-98-6 Usage
Description
(S)-2-Amino-3-(4-benzyloxy-3-nitro-phenyl)-propionic acid is a complex organic chemical compound characterized by the presence of an amino group, a propionic acid group, and a phenyl ring with a benzyl ether and a nitro group. (S)-2-Amino-3-(4-benzyloxy-3-nitro-phenyl)-propionic acid is a derivative of 3-(4-benzyloxy-3-nitro-phenyl)-propionic acid and features a chiral center, with the (S) enantiomer being recognized as the active form. Its structural complexity and functional groups make it a promising candidate for use as a building block in the synthesis of pharmaceuticals and other biologically active molecules.
Uses
Used in Pharmaceutical Industry:
(S)-2-Amino-3-(4-benzyloxy-3-nitro-phenyl)-propionic acid is used as a key intermediate in the synthesis of various pharmaceuticals due to its unique structural features and the presence of a chiral center. (S)-2-Amino-3-(4-benzyloxy-3-nitro-phenyl)-propionic acid's reactivity and functional groups can be exploited to create a wide range of biologically active molecules with potential therapeutic applications.
Used in Organic Synthesis:
In the field of organic synthesis, (S)-2-Amino-3-(4-benzyloxy-3-nitro-phenyl)-propionic acid serves as a versatile building block for the creation of complex organic molecules. Its structural elements, including the amino and propionic acid groups, as well as the benzyl ether and nitro group, can be utilized in various synthetic pathways to generate a diverse array of compounds with specific properties and potential applications.
Used in Research and Development:
(S)-2-Amino-3-(4-benzyloxy-3-nitro-phenyl)-propionic acid is also valuable in research and development settings, where it can be employed to study the effects of structural modifications on the biological activity of compounds. (S)-2-Amino-3-(4-benzyloxy-3-nitro-phenyl)-propionic acid's chirality and functional groups make it an interesting subject for investigations into stereoselectivity, reactivity, and the development of novel synthetic methods.
Check Digit Verification of cas no
The CAS Registry Mumber 5105-98-6 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,1,0 and 5 respectively; the second part has 2 digits, 9 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 5105-98:
(6*5)+(5*1)+(4*0)+(3*5)+(2*9)+(1*8)=76
76 % 10 = 6
So 5105-98-6 is a valid CAS Registry Number.
5105-98-6Relevant articles and documents
Monitoring peptide tyrosine nitration by spectroscopic methods
Niederhafner, Petr,?afa?ík, Martin,Neburková, Jitka,Keiderling, Timothy A.,Bou?, Petr,?ebestík, Jaroslav
, p. 517 - 532 (2021)
Oxidative stress can lead to various derivatives of the tyrosine residue in peptides and proteins. A typical product is 3-nitro-L-tyrosine residue (Nit), which can affect protein behavior during neurodegenerative processes, such as those associated with Alzheimer's and Parkinson's diseases. Surface enhanced Raman spectroscopy (SERS) is a technique with potential for detecting peptides and their metabolic products at very low concentrations. To explore the applicability to Nit, we use SERS to monitor tyrosine nitration in Met-Enkephalin, rev-Prion protein, and α-synuclein models. Useful nitration indicators were the intensity ratio of two tyrosine marker bands at 825 and 870?cm?1 and a bending vibration of the nitro group. During the SERS measurement, a conversion of nitrotyrosine to azobenzene containing peptides was observed. The interpretation of the spectra has been based on density functional theory (DFT) simulations. The CAM-B3LYP and ωB97XD functionals were found to be most suitable for modeling the measured data. The secondary structure of the α-synuclein models was monitored by electronic and vibrational circular dichroism (ECD and VCD) spectroscopies and modeled by molecular dynamics (MD) simulations. The results suggest that the nitration in these peptides has a limited effect on the secondary structure, but may trigger their aggregation.
