Pyoluteorin - ≥97% , CAS No.25683-07-2

CAS: 25683-07-2 Cat. No.: P329250 Peso molecular: 272.08 Beilstein Registry Number: 234664 Número EC: 968-866-0 PubChem CID: 33137

GRADE & PURITY ≥97%

Synonyms

CHEBI:156453 | SCHEMBL11871902 | BRN 0234664 | (4,5-dichloro-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone | (4,5-Dichloro-1H-pyrrol-2-yl)(2,6-dihydroxyphenyl)methanone | 4,5-dichloropyrrol-2-yl 2,6-dihydroxyphenylketone | Methanone, (4,5-dichloro-1H-pyr

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Pyoluteorin is an antibiotic that inhibits Oomycete fungi, including the plant pathogen Pythium ultimum, and suppresses plant diseases caused by this fungus. Pyoluteorin induces human triple-negative breast cancer MDA-MB-231 cells apoptosis in vitro. Pyoluteorin can be used for the research of human triple-negative breast cancer.

Specifications

Sinónimos

CHEBI:156453 | SCHEMBL11871902 | BRN 0234664 | (4, 5-dichloro-1H-pyrrol-2-yl)-(2, 6-dihydroxyphenyl)methanone | (4, 5-Dichloro-1H-pyrrol-2-yl)(2, 6-dihydroxyphenyl)methanone | 4, 5-dichloropyrrol-2-yl 2, 6-dihydroxyphenylketone | Methanone, (4, 5-dichloro-1H-pyr

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

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

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C(=C1)O)C(=O)C2=CC(=C(N2)Cl)Cl)O
• IUPAC Name: (4,5-dichloro-1H-pyrrol-2-yl)-(2,6-dihydroxyphenyl)methanone
• InChIKey: JPGWTZORMBTNMF-UHFFFAOYSA-N
• INCHI: 1S/C11H7Cl2NO3/c12-5-4-6(14-11(5)13)10(17)9-7(15)2-1-3-8(9)16/h1-4,14-16H
• Isómeros SMILES: C1=CC(=C(C(=C1)O)C(=O)C2=CC(=C(N2)Cl)Cl)O
• RTECS: OB1804400
• PubChem CID: 33137
• Peso molecular: 272.08
• Beilstein: 234664

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 Aryl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Aryl-phenylketones
• Alternative Parents: Resorcinols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Aryl chlorides Vinylogous acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl-phenylketone - Benzoyl - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Vinylogous acid - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl 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 (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Enterococcus faecium (13803 Activities)

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Bacillus subtilis (32866 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol, methanol, DMF, DMSO, and water (limited).
• Índice de refracción: n20D1.70 (Predicted)
• Punto de ebullición (°C): 436.86° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 177.04° C (Predicted)
• Peso molecular: 272.080 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 270.98 Da
• Monoisotopic Mass: 270.98 Da
• Topological Polar Surface Area: 73.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 292.000
• 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