NQ 301 - ≥98%(HPLC) , CAS No.130089-98-4

CAS: 130089-98-4 Cat. No.: N288140 Peso molecular: 325.75 Número EC: 110-108-0

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-Chloro-3-(4-acetophenyl)-amino-1,4-naphthoquinone | 2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione | Compound 211

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

2-Chloro-3-(4-acetophenyl)-amino-1, 4-naphthoquinone | 2-[(4-Acetylphenyl)amino]-3-chloro-1, 4-naphthalenedione | Compound 211

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Selective CD45 inhibitor (IC50= 200 nM). Exhibits >200-fold selectivity for CD45 over six related protein tyrosine phosphatases. Increases phosphorylation of Lck in Jurkat cells and reduces T cell receptor signaling in acitvated splenocytesin vitro. Bloc

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.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504760149
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760149
• Sonrisas canónicas: CC(=O)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl
• IUPAC Name: 2-(4-acetylanilino)-3-chloronaphthalene-1,4-dione
• InChIKey: LSQZKIQSQHZVQS-UHFFFAOYSA-N
• INCHI: 1S/C18H12ClNO3/c1-10(21)11-6-8-12(9-7-11)20-16-15(19)17(22)13-4-2-3-5-14(13)18(16)23/h2-9,20H,1H3
• Isómeros SMILES: CC(=O)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl
• Peso molecular: 325.75
• Reaxy-Rn: 9145649
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9145649&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: Naphthoquinones Acetophenones Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Quinones Secondary alkylarylamines Vinylogous amides Vinylogous halides Alpha-chloroketones Enamines Chloroalkenes Vinyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Alkyl-phenylketone - Naphthoquinone - Naphthalene - Acetophenone - Benzoyl - Quinone - Aryl alkyl ketone - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Vinylogous amide - Vinylogous halide - Alpha-chloroketone - Chloroalkene - Haloalkene - Enamine - Vinyl halide - Secondary amine - Vinyl chloride - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Aromatic homopolycyclic 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: Not available

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)

PTPN6 Tchem Protein-tyrosine phosphatase 1C (687 Activities)

Discover Target: PTPN6

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

MOLT-3 (638 Activities)

Explore this target

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

MRC5 (9203 Activities)

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

A549 (127892 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 32.58, Max Conc. mM: 100
• Peso molecular: 325.700 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 325.051 Da
• Monoisotopic Mass: 325.051 Da
• Topological Polar Surface Area: 63.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 561.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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