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

CAS: 25683-07-2 Cat. No.: P329250 分子式: C₁₁H₇Cl₂NO₃ 分子量: 272.08 Beilstein Registry Number: 234664 EC番号: 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

概要

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

同義語

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

仕様と純度

≥97%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC(=C(C(=C1)O)C(=O)C2=CC(=C(N2)Cl)Cl)O
• RTECS: OB1804400
• PubChem CID: 33137
• 分子量: 272.08
• Beilstein: 234664

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Aryl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in ethanol, methanol, DMF, DMSO, and water (limited).
• 屈折率: n20D1.70 (Predicted)
• 沸点（°C）: 436.86° C at 760 mmHg (Predicted)
• 融点（°C）: 177.04° C (Predicted)
• 分子量: 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

よくある質問

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 25683-07-2, the molecular formula is C11H7Cl2NO3, and the molecular weight is 272.08 g/mol. InChIKey JPGWTZORMBTNMF-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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.