2-Fluoroadenine - ≥98% , CAS No.700-49-2

CAS: 700-49-2 Cat. No.: F115552 Fórmula: C₅H₄FN₅ Peso molecular: 153.12 Número EC: 624-159-6

GRADE & PURITY ≥98%

Synonyms

2-Fluoro-9H-purin-6-amine, AldrichCPR | AKOS006223977 | FLUDARABINE PHOSPHATE IMPURITY D [EP IMPURITY] | A2F | InChI=1/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11 | MFCD01632749 | 2-fluoro-9h-purin-6-amine | F-Ade | STL454963 | BCP20080 | 2-F

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Fluoro-9H-purin-6-amine, AldrichCPR | AKOS006223977 | FLUDARABINE PHOSPHATE IMPURITY D [EP IMPURITY] | A2F | InChI=1/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11 | MFCD01632749 | 2-fluoro-9h-purin-6-amine | F-Ade | STL454963 | BCP20080 | 2-F

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488181740
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181740
• Sonrisas canónicas: C1=NC2=NC(=NC(=C2N1)N)F
• IUPAC Name: 2-fluoro-7H-purin-6-amine
• InChIKey: WKMPTBDYDNUJLF-UHFFFAOYSA-N
• INCHI: 1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
• Isómeros SMILES: C1=NC2=NC(=NC(=C2N1)N)F
• WGK Alemania: 3
• RTECS: AU6264700
• Peso molecular: 153.12
• Reaxy-Rn: 11305663
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11305663&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives 2-halopyrimidines Imidolactams Aryl fluorides Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl fluoride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Azacycle - Organofluoride - Organonitrogen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
• External Descriptors: organofluorine compound - purines

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)

SLC2A1 Tchem Glucose transporter (14755 Activities)

Discover Target: SLC2A1

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

HepG2 (196354 Activities)

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

Objetivos asociados (no humanos)

Trypanosoma brucei brucei (13300 Activities)

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

Plasmodium falciparum (966862 Activities)

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): >350°C
• Peso molecular: 153.120 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 153.045 Da
• Monoisotopic Mass: 153.045 Da
• Topological Polar Surface Area: 80.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 154.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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 ≥98% 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 700-49-2, the molecular formula is C5H4FN5, and the molecular weight is 153.12 g/mol. InChIKey WKMPTBDYDNUJLF-UHFFFAOYSA-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.