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

CAS: 700-49-2 Cat. No.: F115552 분자식: C₅H₄FN₅ 분자량: 153.12 EC 번호: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

488181740

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181740

정식 스마일

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)

이성체 SMILES

C1=NC2=NC(=NC(=C2N1)N)F

WGK 독일

3

RTECS

AU6264700

분자량

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
    • 분류 Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

Explore this target

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

관련 대상(비인간)

Trypanosoma brucei brucei (13300 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): >350°C
• 분자량: 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

자주 묻는 질문

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.