2′-Deoxy-2′-fluoroadenosine - ≥98% , CAS No.64183-27-3

CAS: 64183-27-3 Cat. No.: D337695 Fórmula: C₁₀H₁₂FN₅O₃ Peso molecular: 269.24 Número CE: 814-045-6

GRADE & PURITY ≥98%

Synonyms

PD158370 | Adenosine, 2'-deoxy-2'-fluoro- | (2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol | 2'F-dA | ZGYYPTJWJBEXBC-QYYRPYCUSA-N | 9-(2-Deoxy-2-fluoro-beta-D-ribofuranosyl)adenine | AKOS015900907 | (2R,3R,4R,5R)-5-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

PD158370 | Adenosine, 2'-deoxy-2'-fluoro- | (2R,3R,4R,5R)-5-(6-Amino-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-ol | 2'F-dA | ZGYYPTJWJBEXBC-QYYRPYCUSA-N | 9-(2-Deoxy-2-fluoro-beta-D-ribofuranosyl)adenine | AKOS015900907 | (2R,3R,4R,5R)-5-

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 528755022
• Sorrisos canónicos: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)F)N
• IUPAC Name: (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
• InChIKey: ZGYYPTJWJBEXBC-QYYRPYCUSA-N
• INCHI: 1S/C10H12FN5O3/c11-5-7(18)4(1-17)19-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5-,7-,10-/m1/s1
• SMILES isoméricas: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)F)N
• Peso molecular: 269.24
• Reaxy-Rn: 24737949
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24737949&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Purine nucleosides
• Subclass: Purine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine 2'-deoxyribonucleosides
• Alternative Parents: 6-aminopurines Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Secondary alcohols Fluorohydrins Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Primary alcohols Alkyl fluorides Primary amines Organopnictogen compounds Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine 2'-deoxyribonucleoside - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - N-substituted imidazole - Imidolactam - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Tetrahydrofuran - Fluorohydrin - Halohydrin - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Azacycle - Alkyl fluoride - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Alkyl halide - Primary amine - Primary alcohol - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as purine 2'-deoxyribonucleosides. These are compounds consisting of a purine 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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HepG2 (196354 Activities)

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POLRMT Tbio DNA-directed RNA polymerase, mitochondrial (57 Activities)

Discover Target: POLRMT

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Alvos associados (não humanos)

NS5B Hepatitis C virus NS5B RNA-dependent RNA polymerase (3026 Activities)

Discover Target: NS5B

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Trichomonas vaginalis (2376 Activities)

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Rattus norvegicus (775804 Activities)

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Hepatitis C virus (23859 Activities)

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Influenza A virus (11224 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: water (10 mg/mL)
• Sensibilidade: moisture sensitive
• Ponto de fusão (°C): 228 -231°C
• Peso molecular: 269.230 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 269.092 Da
• Monoisotopic Mass: 269.092 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 338.000
• 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