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

CAS: 6974-78-3 Cat. No.: B353415 Summenformel: C₅H₄BrN₅ Molekulargewicht: 214.03 EG-Nummer: 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

Synonyme

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-

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 488185971
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185971
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1=NC(=C2C(=N1)N=C(N2)Br)N
• Molekulargewicht: 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
    • Klasse Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in 0.1N NaOH. Hardly soluble in hot water, DMSO. Insoluble in alcohol, ether, chloroform.
• Siedepunkt (°C): ~497.5° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): >250° C
• Molekulargewicht: 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