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

CAS: 130089-98-4 Cat. No.: N288140 Fórmula: C₁₈H₁₂ClNO₃ Peso molecular: 325.75 Número CE: 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

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e 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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

504760149

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760149

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrição: 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

Alvos associados (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)

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MRC5 (9203 Activities)

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A549 (127892 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: 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

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 130089-98-4, the molecular formula is C18H12ClNO3, and the molecular weight is 325.75 g/mol. InChIKey LSQZKIQSQHZVQS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.