2',5'-Dihydroxyacetophenone - 10mM in DMSO , CAS No.490-78-8

CAS: 490-78-8 Cat. No.: D424247 Peso molecular: 152.15 Beilstein Registry Number: 637903 Número EC: 207-716-4

GRADE & PURITY 10mM in DMSO

Synonyms

Acetophenone, 2',5'-dihydroxy- | AKOS000120785 | Z56889030 | AC-19701 | Acetylhydroquinone | 2 inverted exclamation mark ,5 inverted exclamation mark -Dihydroxyacetophenone | DTXSID9060077 | 1-(2,5-Dihydroxyphenyl)ethanone, 9CI | 2-ACETYL-1,4-BENZENEDIOL

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

Acetophenone, 2', 5'-dihydroxy- | AKOS000120785 | Z56889030 | AC-19701 | Acetylhydroquinone | 2 inverted exclamation mark , 5 inverted exclamation mark -Dihydroxyacetophenone | DTXSID9060077 | 1-(2, 5-Dihydroxyphenyl)ethanone, 9CI | 2-ACETYL-1, 4-BENZENEDIOL

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: CC(=O)C1=C(C=CC(=C1)O)O
• IUPAC Name: 1-(2,5-dihydroxyphenyl)ethanone
• InChIKey: WLDWSGZHNBANIO-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c1-5(9)7-4-6(10)2-3-8(7)11/h2-4,10-11H,1H3
• Isómeros SMILES: CC(=O)C1=C(C=CC(=C1)O)O
• WGK Alemania: 3
• RTECS: AM7700000
• Peso molecular: 152.15
• Beilstein: 637903
• Reaxy-Rn: 637903
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637903&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: Acetophenones Hydroquinones Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Hydroquinone - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Organic oxide - Hydrocarbon derivative - 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: 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)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

Objetivos asociados (no humanos)

Aspergillus flavus (8875 Activities)

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Aspergillus niger (16508 Activities)

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Pichia kudriavzevii (7448 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 203-207°C
• Peso molecular: 152.150 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 155.000
• 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

Referencias

1. Wang Ruimin, Yang Shouzhi, Wang Mengfei, Zhou Yan, Li Xvelian, Chen Wei, Liu Wanshan, Huang Yida, Wu Jiao, Cao Jing, Feng Lei, Wan Jingjing, Wang Jiayi, Huang Lin, Qian Kun.  (2024)  A sustainable approach to universal metabolic cancer diagnosis.  Nature Sustainability,      [PMID:] [10.1038/s41893-024-01323-9]

2. Na Li, Liyan Liu, Huiqing Luo, Huaqiao Wang, Depo Yang, Feng He.  (2020)  Flavanone-Based Fluorophores with Aggregation-Induced Emission Enhancement Characteristics for Mitochondria-Imaging and Zebrafish-Imaging.  MOLECULES,  25  (14): (3298).  [PMID:32708080] [10.3390/molecules25143298]