2,3-Dihydroxypyridine - ≥95% , CAS No.16867-04-2

CAS: 16867-04-2 Cat. No.: D119960 Fórmula: C₅H₅NO₂ Peso molecular: 111.1 Beilstein Registry Number: 109848 Número CE: 240-887-3

GRADE & PURITY ≥95%

Synonyms

2,3-DIHYDROXYPYRIDINE | 2,3-Dihydroxy-pyridine | FT-0646597 | 3-Hydroxy-2(1H)-pyridinone | F0001-0615 | Q27225138 | NSC 49272 | 3-Hydroxy-2-pyridone | 3-oxidanyl-1H-pyridin-2-one | A811001 | DTXCID9030337 | STL352048 | 3-hydroxy-1,2-dihydropyridin-2-one |

Storage

Argon charged,Room temperature

Shipped In

Normal

Visão geral

It was used in the synthesis of DHP loaded amberlite XAD-2 via azo coupler; It was used in the synthesis of new macromolecular chelators by loading DHP on cellulose via linkers -NH-CH2-CH2-NH-SO2-C6H4-N=N- and -SO2-C6H4-N=N.

Specifications

Sinónimos

2,3-DIHYDROXYPYRIDINE | 2,3-Dihydroxy-pyridine | FT-0646597 | 3-Hydroxy-2(1H)-pyridinone | F0001-0615 | Q27225138 | NSC 49272 | 3-Hydroxy-2-pyridone | 3-oxidanyl-1H-pyridin-2-one | A811001 | DTXCID9030337 | STL352048 | 3-hydroxy-1,2-dihydropyridin-2-one |

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 488183073
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183073
• Sorrisos canónicos: C1=CNC(=O)C(=C1)O
• IUPAC Name: 3-hydroxy-1H-pyridin-2-one
• InChIKey: GGOZGYRTNQBSSA-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO2/c7-4-2-1-3-6-5(4)8/h1-3,7H,(H,6,8)
• SMILES isoméricas: C1=CNC(=O)C(=C1)O
• WGK Alemanha: 3
• RTECS: UV1146700
• Peso molecular: 111.1
• Beilstein: 109848
• Reaxy-Rn: 1524180
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1524180&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinones
• Alternative Parents: Hydroxypyridines Dihydropyridines Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydroxypyridine - Pyridinone - Dihydropyridine - Heteroaromatic compound - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyridinones. These are compounds containing a pyridine ring, which bears a ketone.
• 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

Alvos associados (humanos)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

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MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

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MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

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MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

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THP-1 (11052 Activities)

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DAO Tchem D-amino-acid oxidase (802 Activities)

Discover Target: DAO

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Alvos associados (não humanos)

Nos2 Nitric oxide synthase, inducible (3573 Activities)

Discover Target: Nos2

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Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

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Hdac1 Histone deacetylase 1 (93 Activities)

Discover Target: Hdac1

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

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Leishmania donovani (89745 Activities)

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P388 (20296 Activities)

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lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Sensibilidade: air sensitive
• Ponto de fusão (°C): 249°C
• Peso molecular: 111.100 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.032 Da
• Monoisotopic Mass: 111.032 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 169.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16867-04-2, the molecular formula is C5H5NO2, and the molecular weight is 111.1 g/mol. InChIKey GGOZGYRTNQBSSA-UHFFFAOYSA-N.

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.