N4-Benzoilcitosina - ≥97%(HPLC)(T) , CAS No.26661-13-2

CAS: 26661-13-2 Cat. No.: N138590 Peso molecular: 215.21 Beilstein Registry Number: 25(3/4)3658 Número EC: 628-907-2

GRADE & PURITY ≥97%(HPLC)(T)

Synonyms

A818547 | CCG-308745 | N-(2,3-Dihydro-2-oxo-4-pyrimidinyl)benzamide | N-(2-Hydroxy-pyrimidin-4-yl)-benzamide | N-(2-oxo-2,3-dihydropyrimidin-4-yl)benzamide | N-4-benzoyl cytosine | N4-benzoyl cytosine | N-Benzoylcytosine | AC-29262 | N4 -(Benzoyl)cytosine

Storage

Room temperature

Shipped In

Normal

Descripción general

Descripción del producto：

La N4-Benzoilcitosina es una amida y su actividad antimicrobiana frente a microorganismos patógenos se ha estudiado mediante el método de difusión en disco y el de placa de vaciado. Puede sintetizarse mediante la condensación de cloruro de benzoilo con citosina.

Aplicación del producto：

La N4-benzoilcitosina puede emplearse para las siguientes síntesis: piranonucleósidos de doble cabeza 3′-C-etinilo y 3′-C-(1,4-disustituido-1,2,3-triazolo) 2′-C-metil-4′-tiocitidina, mediante la reacción de Pummerer Análogos de L-nucleósidos 2′-fluorados

Specifications

Sinónimos

A818547 | CCG-308745 | N-(2, 3-Dihydro-2-oxo-4-pyrimidinyl)benzamide | N-(2-Hydroxy-pyrimidin-4-yl)-benzamide | N-(2-oxo-2, 3-dihydropyrimidin-4-yl)benzamide | N-4-benzoyl cytosine | N4-benzoyl cytosine | N-Benzoylcytosine | AC-29262 | N4 -(Benzoyl)cytosine

Especificaciones y pureza

≥97%(HPLC)(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(HPLC)(T)

Nombres e identificadores

• Pubchem Sid: 504758424
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758424
• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)NC2=CC=NC(=O)N2
• IUPAC Name: N-(2-oxo-1H-pyrimidin-6-yl)benzamide
• InChIKey: XBDUZBHKKUFFRH-UHFFFAOYSA-N
• INCHI: 1S/C11H9N3O2/c15-10(8-4-2-1-3-5-8)13-9-6-7-12-11(16)14-9/h1-7H,(H2,12,13,14,15,16)
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=NC(=O)N2
• WGK Alemania: 3
• Peso molecular: 215.21
• Beilstein: 25(3/4)3658
• Reaxy-Rn: 4436637
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4436637&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzoyl derivatives Pyrimidones Hydropyrimidines Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzoyl - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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 (humanos)

DCK Tchem Deoxycytidine kinase (530 Activities)

Discover Target: DCK

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

Objetivos asociados (no humanos)

Influenza B virus (2113 Activities)

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Influenza A virus (11224 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 339 °C
• Peso molecular: 215.210 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.069 Da
• Monoisotopic Mass: 215.069 Da
• Topological Polar Surface Area: 70.600 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 354.000
• 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