Hidrato de L-quinurenina - ≥98%(T) , CAS No.2922-83-0

CAS: 2922-83-0 Cat. No.: S138616 Peso molecular: 208.22(as Anhydrous) Beilstein Registry Number: 14(4)1656

GRADE & PURITY ≥98%(T)

Synonyms

CCRIS 4425 | L-kynurenine | SCHEMBL20875 | KYN | AKOS016843487 | beta-Anthraniloyl-L-alanine, L-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid | DTXSID1074414 | 3-(2-aminobenzoyl)-L-alanine | (alphaS)-alpha,2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate | (

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

La L-quinurenina es un intermediario clave en la vía de degradación del triptófano. La L-quinurenina es un sustrato de la cinureninasa, la KMO y la KAT asociado a la supresión de las respuestas inmunitarias antitumorales. Se ha demostrado que inhibe la proliferación de células T alogénicas y que aumenta la invasión de células de glioma maligno U87 en una matriz de colágeno.

Specifications

Sinónimos

CCRIS 4425 | L-kynurenine | SCHEMBL20875 | KYN | AKOS016843487 | beta-Anthraniloyl-L-alanine, L-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid | DTXSID1074414 | 3-(2-aminobenzoyl)-L-alanine | (alphaS)-alpha, 2-diamino-3-hydroxy-gamma-oxo-Benzenebutanoate | (

Especificaciones y pureza

≥98%(T)

Mecanismos bioquímicos y fisiológicos

Agonista endógeno de AhR. Metabolito del L-triptófano. Suprime la proliferación de células T alogénicas. Centralmente activo.

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Tipo de acción

AGONIST

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. No obstante, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%(T)

Nombres e identificadores

• Pubchem Sid: 488188330
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188330
• Sonrisas canónicas: C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N
• IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
• InChIKey: YGPSJZOEDVAXAB-QMMMGPOBSA-N
• INCHI: 1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
• Isómeros SMILES: C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)N
• RTECS: CY9049700
• Peso molecular: 208.22(as Anhydrous)
• Beilstein: 14(4)1656
• Reaxy-Rn: 2697333
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2697333&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones L-alpha-amino acids Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Aniline and substituted anilines Beta-amino ketones Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Benzoyl - Gamma-keto acid - Aniline or substituted anilines - Aryl alkyl ketone - Monocyclic benzene moiety - Beta-aminoketone - Keto acid - Benzenoid - Vinylogous amide - Amino acid - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Primary amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: non-proteinogenic L-alpha-amino acid - kynurenine

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

Objetivos asociados (humanos)

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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

KYNU Tchem Kynureninase (42 Activities)

Discover Target: KYNU

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

IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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

RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

Discover Target: RGS4

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

Objetivos asociados (no humanos)

Bacillus subtilis (32866 Activities)

Explore this target

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

ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)

Discover Target: ffp

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air sensitive
• Rotación específica [α]: -33° (C=0.4,H2O)
• Punto de fusión (°C): 219 °C
• Peso molecular: 208.210 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 208.085 Da
• Monoisotopic Mass: 208.085 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 255.000
• 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

Referencias

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