S-(2,4-Dinitrophenyl)-Glutathione - Moligand™, ≥95% , CAS No.26289-39-4

CAS: 26289-39-4 Cat. No.: S350360 Peso molecular: 473.42 PubChem CID: 97535

GRADE & PURITY Moligand™, ≥95%

Synonyms

dinitrophenyl-S-glutathione | L-gamma-glutamyl-S-(2,4-dinitrophenyl)-L-cysteinylglycine | DNP-S-glutathione | 2-[[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]Amino]-3-[(2,4-Dinitrophenyl)Thio]Propanoyl]Amino]Acetic Acid | (2S)-2-Amino-5-[[(1R)-2-(Car

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

S-(2,4-Dinitrophenyl)-Glutathione is a substrate for Glutathione-S-Transferase, that has a kinetically determined dissociation constant of 7μM.

Specifications

Sinónimos

dinitrophenyl-S-glutathione | L-gamma-glutamyl-S-(2, 4-dinitrophenyl)-L-cysteinylglycine | DNP-S-glutathione | 2-[[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]Amino]-3-[(2, 4-Dinitrophenyl)Thio]Propanoyl]Amino]Acetic Acid | (2S)-2-Amino-5-[[(1R)-2-(Car

Especificaciones y pureza

Moligand™, ≥95%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
• IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(2,4-dinitrophenyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
• InChIKey: FXEUKVKGTKDDIQ-UWVGGRQHSA-N
• INCHI: 1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10-/m0/s1
• Isómeros SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
• PubChem CID: 97535
• Peso molecular: 473.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Gamma-glutamyl peptides Glutamine and derivatives N-acyl-alpha amino acids Alpha amino acid amides Cysteine and derivatives L-alpha-amino acids Nitrobenzenes Thiophenol ethers Nitroaromatic compounds Alkylarylthioethers Dicarboxylic acids and derivatives N-acyl amines Amino acids Secondary carboxylic acid amides Organic oxoazanium compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Monoalkylamines Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Gamma-glutamyl alpha peptide - Glutamine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Cysteine or derivatives - Alpha-amino acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - Alkylarylthioether - N-acyl-amine - Fatty acyl - Benzenoid - Fatty amide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Amino acid or derivatives - Amino acid - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Thioether - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic oxoazanium - Primary amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Primary aliphatic amine - Organosulfur compound - Organooxygen compound - Organic zwitterion - Amine - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: glutathione conjugate

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Water
• Punto de fusión (°C): 210-212° C
• Peso molecular: 473.400 g/mol
• XLogP3: -2.900
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 11
• Exact Mass: 473.085 Da
• Monoisotopic Mass: 473.085 Da
• Topological Polar Surface Area: 276.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 740.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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