2-Fluoroadenosina - ≥96% , CAS No.146-78-1

CAS: 146-78-1 Cat. No.: F138250 Fórmula: C₁₀H₁₂FN₅O₄ Peso molecular: 285.23 Beilstein Registry Number: 26(3/4)3723 Número CE: 633-923-8

GRADE & PURITY ≥96%

Synonyms

SRI 727 | 2FA | 2FA | ADENOSINA, 2-FLUORO- | MFCD00866394 | 2-Fluoroadenosina, 97% | AI3-52599 | NCGC00181336-01 | PDSP2_001055 | AC-22363 | BRN 0043956 | Purina, 6-amino-2-fluoro-9-beta-D-ribofuranosil- | 2-FLUORO-9-.BETA.-D-RIBOFURANOSILADENINA | BRD-K7

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SRI 727 | 2FA | 2FA | ADENOSINA, 2-FLUORO- | MFCD00866394 | 2-Fluoroadenosina, 97% | AI3-52599 | NCGC00181336-01 | PDSP2_001055 | AC-22363 | BRN 0043956 | Purina, 6-amino-2-fluoro-9-beta-D-ribofuranosil- | 2-FLUORO-9-.BETA.-D-RIBOFURANOSILADENINA | BRD-K7

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Tipo de ação

INHIBITOR

Pureza

≥96%

Nomes e identificadores

• Pubchem Sid: 488180917
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180917
• Sorrisos canónicos: C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)N
• IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
• InChIKey: HBUBKKRHXORPQB-UUOKFMHZSA-N
• INCHI: 1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
• SMILES isoméricas: C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N
• WGK Alemanha: 3
• RTECS: AU7386000
• Peso molecular: 285.23
• Beilstein: 26(3/4)3723
• Reaxy-Rn: 3038524
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3038524&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Purine nucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Purine nucleosides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Purine nucleosides
• Alternative Parents: Glycosylamines 6-aminopurines Pentoses 2-halopyrimidines Aminopyrimidines and derivatives Aryl fluorides Imidolactams N-substituted imidazoles Heteroaromatic compounds Tetrahydrofurans Secondary alcohols Azacyclic compounds Oxacyclic compounds Primary amines Hydrocarbon derivatives Primary alcohols Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine nucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl fluoride - Aryl halide - Monosaccharide - N-substituted imidazole - Imidolactam - Pyrimidine - Tetrahydrofuran - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Oxacycle - Primary alcohol - Amine - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organofluoride - Alcohol - Primary amine - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.
• External Descriptors: organofluorine compound - adenosines

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)

ADORA3 Tchem Adenosine receptor A3 (1 Activities)

Discover Target: ADORA3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADA Tclin Adenosine deaminase (129 Activities)

Discover Target: ADA

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ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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BJ (6930 Activities)

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HepG2 (196354 Activities)

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Jurkat (10389 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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ATXN2 Tbio Ataxin-2 (54410 Activities)

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IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

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Alvos associados (não humanos)

Trypanosoma brucei brucei (13300 Activities)

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Plasmodium falciparum (966862 Activities)

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Bos taurus (956 Activities)

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INS1 (2867 Activities)

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Hsf1 Heat shock factor protein 1 (5445 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Mecanismos de ação

Propriedades químicas e físicas

• Rotação específica [α]: -72° (C=0.1,EtOH)
• Ponto de fusão (°C): 200 °C
• Peso molecular: 285.230 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 285.087 Da
• Monoisotopic Mass: 285.087 Da
• Topological Polar Surface Area: 140.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 367.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥96% 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 146-78-1, the molecular formula is C10H12FN5O4, and the molecular weight is 285.23 g/mol. InChIKey HBUBKKRHXORPQB-UUOKFMHZSA-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.