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

CAS: 130089-98-4 Cat. No.: N288140 Summenformel: C₁₈H₁₂ClNO₃ Molekulargewicht: 325.75 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 504760149
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760149
• Kanonisches Lächeln: 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
• Isomere SMILES: CC(=O)C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl
• Molekulargewicht: 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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 32.58, Max Conc. mM: 100
• Molekulargewicht: 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