Nicotinamide N-Oxide - ≥98% , CAS No.1986-81-8

CAS: 1986-81-8 Cat. No.: N123035 Fórmula: C₆H₆N₂O₂ Peso molecular: 138.12 Número CE: 217-859-4

GRAU & PUREZA ≥98%

Synonyms

3-Pyridinecarboxamide, 1-oxide | Nicotinamide N-oxide | InChI=1/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9) | Nicotinamide N1-oxide | 1-oxido-pyridin-1-ium-3-carboxamide | 1-oxide-nicotinamide | J-512155 | AKOS000282814 | nicotinamide-n-oxide | USSFUV

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

Nicotinamide N-oxide is a niacin-related compound used in studies of mechanisms of niacin-related granulocyte differentiation of cells such as human promyelocytic leukemia cells (HL-60). Nicotinamide N-oxide reduced expression of c-myc in HL-60 cell line.

Especificações

Sinónimos

3-Pyridinecarboxamide, 1-oxide | Nicotinamide N-oxide | InChI=1/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9) | Nicotinamide N1-oxide | 1-oxido-pyridin-1-ium-3-carboxamide | 1-oxide-nicotinamide | J-512155 | AKOS000282814 | nicotinamide-n-oxide | USSFUV

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Tipo de ação

ANTAGONIST

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504754660

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754660

Sorrisos canónicos

C1=CC(=C[N+](=C1)[O-])C(=O)N

IUPAC Name

1-oxidopyridin-1-ium-3-carboxamide

InChIKey

USSFUVKEHXDAPM-UHFFFAOYSA-N

INCHI

1S/C6H6N2O2/c7-6(9)5-2-1-3-8(10)4-5/h1-4H,(H2,7,9)

SMILES isoméricas

C1=CC(=C[N+](=C1)[O-])C(=O)N

WGK Alemanha

3

Peso molecular

138.12

Reaxy-Rn

115925

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=115925&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxamides
          • Level6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: Heteroaromatic compounds Carboximidic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Heteroaromatic compound - Azacycle - Carboximidic acid derivative - Carboximidic acid - 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 nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
• External Descriptors: a small molecule

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)

MTARC1 Tbio Mitochondrial amidoxime-reducing component 1 (51 Activities)

Discover Target: MTARC1

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Hygroscopic
• Ponto de fusão (°C): 291-293°C
• Peso molecular: 138.120 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.043 Da
• Monoisotopic Mass: 138.043 Da
• Topological Polar Surface Area: 68.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 138.000
• 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