2′-Deoxy-2′,2′-difluoro thymidine - ≥95% , CAS No.95058-80-3

CAS: 95058-80-3 Cat. No.: D337001 Fórmula: C₁₀H₁₂F₂N₂O₅ Peso molecular: 278.21

GRAU & PUREZA ≥95%

Storage

Room temperature

Shipped In

Normal

Especificações

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)(F)F

IUPAC Name

1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

InChIKey

FKWSSJHRJXJIMZ-ATRFCDNQSA-N

INCHI

1S/C10H12F2N2O5/c1-4-2-14(9(18)13-7(4)17)8-10(11,12)6(16)5(3-15)19-8/h2,5-6,8,15-16H,3H2,1H3,(H,13,17,18)/t5-,6-,8-/m1/s1

SMILES isoméricas

CC1=CN(C(=O)NC1=O)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F

Peso molecular

278.21

Reaxy-Rn

26453222

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26453222&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Pyrimidine nucleosides
      • Subclass Pyrimidine 2'-deoxyribonucleosides

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

Alvos associados (humanos)

CCRF-CEM (65223 Activities)

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HEL (6614 Activities)

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HeLa (62764 Activities)

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Alvos associados (não humanos)

TK Thymidine kinase (276 Activities)

Discover Target: TK

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Human alphaherpesvirus 2 (4932 Activities)

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Human alphaherpesvirus 3 (4092 Activities)

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Human betaherpesvirus 5 (5122 Activities)

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Vaccinia virus (4609 Activities)

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Human alphaherpesvirus 1 (11089 Activities)

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FM3A (1296 Activities)

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L1210 (27553 Activities)

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Mecanismos de ação

Perguntas frequentes

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 95058-80-3, the molecular formula is C10H12F2N2O5, and the molecular weight is 278.21 g/mol. InChIKey FKWSSJHRJXJIMZ-ATRFCDNQSA-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.