(S)-5-Amino-5-oxo-2-(2-phenylacetamido)pentanoic acid - 10mM in DMSO , CAS No.28047-15-6

CAS: 28047-15-6 Cat. No.: S422982 Molecular Weight: 264.28 EC Number: 641-878-0 PubChem CID: 92258

GRADE & PURITY 10mM in DMSO

Synonyms

Phenylacetylglutamine|28047-15-6|(S)-5-Amino-5-oxo-2-(2-phenylacetamido)pentanoic acid|Phenylacetyl L-Glutamine|Phenylacetyl-L-glutamine|PHENYLAC-GLN-OH|alpha-N-Phenylacetyl-L-glutamine|NSC 203800|L-Glutamine, N2-(phenylacetyl)-|N2-(2-Phenylacetyl)-L-glut

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

Phenylacetylglutamine | 28047-15-6 | (S)-5-Amino-5-oxo-2-(2-phenylacetamido)pentanoic acid | Phenylacetyl L-Glutamine | Phenylacetyl-L-glutamine | PHENYLAC-GLN-OH | alpha-N-Phenylacetyl-L-glutamine | NSC 203800 | L-Glutamine, N2-(phenylacetyl)- | N2-(2-Phenylacetyl)-L-glut

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O
• IUPAC Name: (2S)-5-amino-5-oxo-2-[(2-phenylacetyl)amino]pentanoic acid
• InChIKey: JFLIEFSWGNOPJJ-JTQLQIEISA-N
• INCHI: 1S/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)/t10-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)CC(=O)N[C@@H](CCC(=O)N)C(=O)O
• PubChem CID: 92258
• Molecular Weight: 264.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Benzene and substituted derivatives Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyl-alpha-amino acid - Monocyclic benzene moiety - Benzenoid - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: N(2)-phenylacetylglutamine

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 264.280 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 264.111 Da
• Monoisotopic Mass: 264.111 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 338.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Ting Yang, Bangbang Wei, Jing Liu, Xinxin Si, Lulu Wang, Chunming Jiang.  (2024)  A landscape of metabolic variation among clinical outcomes of peritoneal dialysis in end-stage renal disease.  CLINICA CHIMICA ACTA,      [PMID:38342423] [10.1016/j.cca.2024.117826]

2. Ling Xin, Mengxin Ren, Yanwei Lou, Huawen Yin, Feng Qin, Zhili Xiong.  (2024)  Integrated UHPLC-MS untargeted metabolomics and gut microbe metabolism pathway-targeted metabolomics to reveal the prevention mechanism of Gushudan on kidney-yang-deficiency-syndrome rats.  JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,      [PMID:38387127] [10.1016/j.jpba.2024.116062]