5624-13-5

Basic information

• Product Name: PHENYLTHIOHYDANTOIN-ASPARTIC ACID
• Synonyms: PTH-L-ASPARTIC ACID;PTH-ASPARTIC ACID;PTH-DL-ASPARTIC ACID;PHENYLTHIOHYDANTOIN-DL-ASPARTIC ACID;PHENYLTHIOHYDANTOIN-ASPARTIC ACID;3-phenyl-2-thio-5-hydantoinaceticaci;5-oxo-1-phenyl-2-thioxo-4-imidazolidineaceticaci;5-oxo-1-phenyl-2-thioxo-4-imidazolidineaceticacid
• CAS NO: 5624-13-5
• Molecular Formula: C₁₁H₁₀N₂O₃S
• Molecular Weight: 250.27
• EINECS: 227-055-5
• Product Categories: PTH-Amino Acids;Amino Acids;Amino Acids (N-Protected);Biochemistry
• Mol File: 5624-13-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 233-234 °C(Solv: ethanol (64-17-5))
• Boiling Point: 435.1°Cat760mmHg
• Flash Point: 216.9°C
• Appearance: /
• Density: 1.51g/cm³
• Vapor Pressure: 2.43E-08mmHg at 25°C
• Refractive Index: 1.705
• Storage Temp.: −20°C
• PKA: 3.94±0.10(Predicted)
• CAS DataBase Reference: PHENYLTHIOHYDANTOIN-ASPARTIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: PHENYLTHIOHYDANTOIN-ASPARTIC ACID(5624-13-5)
• EPA Substance Registry System: PHENYLTHIOHYDANTOIN-ASPARTIC ACID(5624-13-5)

Safety Data

• RTECS: NI8720800
• Hazardous Substances Data: 5624-13-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H10N2O3S/c14-9(15)6-8-10(16)13(11(17)12-8)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,14,15)

Upstream product

• 5624-08-8 D,L-asparagine N-phenylthiohydantoin 
• 103-72-0 phenyl isothiocyanate 
• 617-45-8 aspartic Acid 
• 110443-53-3 N-phenyl-N¹-(1,4-dicarboxyethyl)thiocarbamide 
• 146958-86-3 C₆₉H₉₄N₁₈O₁₄S 

Relevant articles and documents

Combination of Edman degradation of peptides with liquid chromatography/mass spectrometry workflow for peptide identification in bottom-up proteomics

Rationale: High-throughput methods of proteomics are essential for identification of proteins in a cell or tissue under certain conditions. Most of these methods require tandem mass spectrometry (MS/MS). A multidimensional approach including predictive chromatography and partial chemical degradation could be a valuable alternative and/or addition to MS/MS. Methods: In the proposed strategy peptides are identified in a three-dimensional (3D) search space consisting of retention time (RT), mass, and reduced mass after one-step partial Edman degradation. The strategy was evaluated in silico for two databases: baker's yeast and human proteins. Rates of unambiguous identifications were estimated for mass accuracies from 0.001 to 0.05 Da and RT prediction accuracies from 0.1 to 5 min. Rates of Edman reactions were measured for test peptides. Results: A 3D description of proteolytic peptides allowing unambiguous identification without employing MS/MS of up to 95% and 80% of tryptic peptides from the yeast and human proteomes, respectively, was considered. Further extension of the search space to a four-dimensional one by incorporating the second N-terminal amino acid residue as the fourth dimension was also considered and was shown to result in up to 90% of human peptides being identified unambiguously. Conclusions: The proposed 3D search space can be a useful alternative to MS/MS-based peptide identification approach. Experimental implementations of the proposed method within the on-line liquid chromatography/mass spectrometry (LC/MS) and off-line matrix-assisted laser desorption/ionization (MALDI) workflows are in progress. Copyright

Synthesis of 3 aryl 2 thiohydantoin and 3 arylhydantoin 5 acetic acids and screening of some of their pharmacological properties

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Circular dichroism and configuration of alpha-amine acids

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