8-Bromoadenine - ≥97% , CAS No.6974-78-3

CAS: 6974-78-3 Cat. No.: B353415 Formule: C₅H₄BrN₅ Poids moléculaire: 214.03 Numéro CE: 230-225-1

GRADE & PURITY ≥97%

Synonyms

8-Bromo adenine | 3pm1 | T56W91NG6J | 8-bromadenin | 9H-Purin-6-amine,8-bromo- | SCHEMBL21121885 | PD183267 | 8-Bromo-1H-adenine | MFCD00012213 | 1H-Purin-6-amine, 8-bromo- | 8-bromo-7H-purin-6-amine | NSC 21697 | 6-Amino-8-bromopurine | 8-bromo-9H-purin-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

8-Bromo adenine | 3pm1 | T56W91NG6J | 8-bromadenin | 9H-Purin-6-amine,8-bromo- | SCHEMBL21121885 | PD183267 | 8-Bromo-1H-adenine | MFCD00012213 | 1H-Purin-6-amine, 8-bromo- | 8-bromo-7H-purin-6-amine | NSC 21697 | 6-Amino-8-bromopurine | 8-bromo-9H-purin-

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488185971
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185971
• Sourires canoniques: C1=NC(=C2C(=N1)N=C(N2)Br)N
• IUPAC Name: 8-bromo-7H-purin-6-amine
• InChIKey: FVXHPCVBOXMRJP-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
• Isomères SMILES: C1=NC(=C2C(=N1)N=C(N2)Br)N
• Poids moléculaire: 214.03
• Reaxy-Rn: 1107211
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1107211&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 6-aminopurines
• Alternative Parents: Aminopyrimidines and derivatives Imidolactams Aryl bromides Imidazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 6-aminopurine - Aminopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Imidolactam - Imidazole - Azole - Heteroaromatic compound - Azacycle - Organopnictogen compound - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: 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: 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

Cibles associées (humaines)

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

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

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

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

ADORA2B Tclin Adenosine A2b receptor (7672 Activities)

Discover Target: ADORA2B

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in 0.1N NaOH. Hardly soluble in hot water, DMSO. Insoluble in alcohol, ether, chloroform.
• Point d'ébullition (°C): ~497.5° C at 760 mmHg (Predicted)
• Point de fusion (°C): >250° C
• Poids moléculaire: 214.020 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 212.965 Da
• Monoisotopic Mass: 212.965 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