R162 - ≥98% , CAS No.64302-87-0

CAS: 64302-87-0 Cat. No.: R304260 Peso molecular: 264.28 PubChem CID: 4412951

GRADE & PURITY ≥98%

Synonyms

1-Hydroxy-2-(2-propen-1-yl)-9,10-anthracenedione

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

1-Hydroxy-2-(2-propen-1-yl)-9, 10-anthracenedione

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Glutamate dehydrogenase (GHD1) inhibitor (IC50= 23 μM). Decreases fumarate and ROS levels, attenuates glutathione peroxidase levels and inhibits cell proliferation in cancer cell lines. Attenuates viability of a range of cancer cell lines.

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%

Nombres e identificadores

• Pubchem Sid: 504763010
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763010
• Sonrisas canónicas: C=CCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O
• IUPAC Name: 1-hydroxy-2-prop-2-enylanthracene-9,10-dione
• InChIKey: IMUBGIOLZQTIGI-UHFFFAOYSA-N
• INCHI: 1S/C17H12O3/c1-2-5-10-8-9-13-14(15(10)18)17(20)12-7-4-3-6-11(12)16(13)19/h2-4,6-9,18H,1,5H2
• Isómeros SMILES: C=CCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)O
• PubChem CID: 4412951
• Número ONU: 3077
• Grupo de embalaje: III
• Peso molecular: 264.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: hydroxyanthraquinones

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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 13.21, Max Conc. mM: 50
• Peso molecular: 264.270 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 264.079 Da
• Monoisotopic Mass: 264.079 Da
• Topological Polar Surface Area: 54.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 428.000
• 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