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

CAS: 23205-42-7 Cat. No.: D349610 Formule: C₁₀H₁₃NO₆ Poids moléculaire: 243.21 Numéro CE: 245-488-8

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Propriétés du produit

pKa

pKa: 4.5 (Predicted)

Noms et identifiants

Pubchem Sid

528759243

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

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
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Glycosylamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

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WISH (126 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO, methanol, and water.
• Indice de réfraction: n20D1.71 (Predicted)
• Point d'ébullition (°C): ~569.2° C at 760 mmHg (Predicted)
• Point de fusion (°C): >207° C (dec.)
• Poids moléculaire: 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