3-Deazauridine - ≥98% , CAS No.23205-42-7

CAS: 23205-42-7 Cat. No.: D349610 Fórmula: C₁₀H₁₃NO₆ Peso molecular: 243.21 Número EC: 245-488-8

CALIDAD & PUREZA ≥98%

Synonyms

UNII-263CU738ZY | 4-Hydroxy-1-beta-D-ribofuranosyl-2(1H)-pyridone | 5-(2-(4-(1,2-benzisothiazol-3-yl)piperazinyl)ethyl)-6-chlorooxindole | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-pyridin-2-one | 3-Deazuridine | F126

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

3-Deazauridine (NSC 126849) is a uridine analogue. 3-Deazauridine competitively inhibits cytidine triphosphate synthase to inhibit the biosynthesis of cytidine-5'-triphosphate. 3-Deazauridine acts synergistically with several antineoplastic agents, acting as a biological response modifier

Especificaciones

Sinónimos

UNII-263CU738ZY | 4-Hydroxy-1-beta-D-ribofuranosyl-2(1H)-pyridone | 5-(2-(4-(1,2-benzisothiazol-3-yl)piperazinyl)ethyl)-6-chlorooxindole | 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-hydroxy-pyridin-2-one | 3-Deazuridine | F126

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%

Propiedades del producto

pKa

pKa: 4.5 (Predicted)

Nombres e identificadores

Pubchem Sid

528759243

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528759243

Sonrisas canónicas

C1=CN(C(=O)C=C1O)C2C(C(C(O2)CO)O)O

IUPAC Name

1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyridin-2-one

InChIKey

CBOKZNLSFMZJJA-PEBGCTIMSA-N

INCHI

1S/C10H13NO6/c12-4-6-8(15)9(16)10(17-6)11-2-1-5(13)3-7(11)14/h1-3,6,8-10,12-13,15-16H,4H2/t6-,8-,9-,10-/m1/s1

Isómeros SMILES

C1=CN(C(=O)C=C1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

Peso molecular

243.21

Reaxy-Rn

24732009

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24732009&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Glycosylamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Glycosylamines
• Alternative Parents: Pentoses Pyridinones Hydroxypyridines Dihydropyridines Vinylogous acids Oxolanes Heteroaromatic compounds Secondary alcohols Lactams Oxacyclic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-glycosyl compound - Pentose monosaccharide - Dihydropyridine - Hydroxypyridine - Pyridinone - Hydropyridine - Monosaccharide - Pyridine - Heteroaromatic compound - Oxolane - Vinylogous acid - Lactam - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary alcohol - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as glycosylamines. These are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether).
• 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)

CCRF-CEM (65223 Activities)

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WISH (126 Activities)

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Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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Human alphaherpesvirus 1 (11089 Activities)

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Enterovirus (1116 Activities)

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L1210 (27553 Activities)

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Vero (26788 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO, methanol, and water.
• Índice de refracción: n20D1.71 (Predicted)
• Punto de ebullición (°C): ~569.2° C at 760 mmHg (Predicted)
• Punto de fusión (°C): >207° C (dec.)
• Peso molecular: 243.210 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 243.074 Da
• Monoisotopic Mass: 243.074 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 379.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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