2′,3′-Dideoxy-3′-fluorouridine - ≥95% , CAS No.41107-56-6

CAS: 41107-56-6 Cat. No.: D357191 Fórmula: C₉H₁₁FN₂O₄ Peso molecular: 230.19 Número EC: 415-360-8

GRADE & PURITY ≥95%

Synonyms

2',3'-Dideoxy-3'-fluorouridine, 95% | 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione | 5-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidine)-3-fluoro-2-hydroxymethyltetrahydrofuran | 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

2′,3′-Dideoxy-3′-fluorouridine exhibits anti-retrovirus activity.

Product Introduction

2′,3′-Dideoxy-3′-fluorouridine (3′-fluoro-2′,3′-dideoxyuridine, FddUrd) is a fluorinated pyrimidine nucleoside analog of uridine. It has been studied extensively for its potential use as an antiviral agent against HIV.

Application

2′,3′-Dideoxy-3′-fluorouridine can be used as a starting material in the synthesis of:

3′-fluoro 2′,3′-dideoxynucleoside analogs for in vitro antiviral activity studies.

3′-fluoro deoxyuridine monophosphate analogs as potential anti parasites.

Specifications

Sinónimos

2',3'-Dideoxy-3'-fluorouridine, 95% | 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione | 5-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidine)-3-fluoro-2-hydroxymethyltetrahydrofuran | 1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2

Especificaciones y pureza

≥95%

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.

Pureza

≥95%

Nombres e identificadores

Pubchem Sid

504757528

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757528

Sonrisas canónicas

C1C(C(OC1N2C=CC(=O)NC2=O)CO)F

IUPAC Name

1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

InChIKey

BKIUEHLYJFLWPK-SHYZEUOFSA-N

INCHI

1S/C9H11FN2O4/c10-5-3-8(16-6(5)4-13)12-2-1-7(14)11-9(12)15/h1-2,5-6,8,13H,3-4H2,(H,11,14,15)/t5-,6+,8+/m0/s1

Isómeros SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)F

WGK Alemania

1

Peso molecular

230.19

Reaxy-Rn

25692019

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25692019&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase Pyrimidine nucleosides
      • Subclass Pyrimidine 2',3'-dideoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: Pyrimidine nucleosides
• Subclass: Pyrimidine 2',3'-dideoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2',3'-dideoxyribonucleosides
• Alternative Parents: Pyrimidones Hydropyrimidines Tetrahydrofurans Vinylogous amides Heteroaromatic compounds Lactams Ureas Oxacyclic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2',3'-dideoxyribonucleoside - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Tetrahydrofuran - Vinylogous amide - Lactam - Urea - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Alkyl fluoride - Alkyl halide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrimidine 2',3'-dideoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at positions 2 and 3.
• 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)

MT4 (17854 Activities)

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

Objetivos asociados (no humanos)

pol Human immunodeficiency virus type 1 reverse transcriptase (18245 Activities)

Discover Target: pol

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

Plasmodium falciparum (966862 Activities)

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Leishmania donovani (89745 Activities)

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Trypanosoma cruzi (99888 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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L6 (7924 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 480.84° C (Predicted)
• Punto de fusión (°C): 184-188° C (lit.)
• Peso molecular: 230.190 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 230.07 Da
• Monoisotopic Mass: 230.07 Da
• Topological Polar Surface Area: 78.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 346.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Preguntas frecuentes

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 41107-56-6, the molecular formula is C9H11FN2O4, and the molecular weight is 230.19 g/mol. InChIKey BKIUEHLYJFLWPK-SHYZEUOFSA-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.