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

CAS: 6974-78-3 Cat. No.: B353415 Formula: C₅H₄BrN₅ Peso molecolare: 214.03 Numero EC: 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

Sinonimi

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-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488185971
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185971
• Sorrisi canonici: 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)
• Isomeri SMILES: C1=NC(=C2C(=N1)N=C(N2)Br)N
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in 0.1N NaOH. Hardly soluble in hot water, DMSO. Insoluble in alcohol, ether, chloroform.
• Punto di ebollizione (°C): ~497.5° C at 760 mmHg (Predicted)
• Punto di fusione (°C): >250° C
• Peso molecolare: 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