Home Halogens 1H-Purin-6-amine, 8-bromo-

1H-Purin-6-amine, 8-bromo-

CAS No.:
6974-78-3
Catalog Number:
AG00IBZ7
Molecular Formula:
C5H4BrN5
Molecular Weight:
214.0228
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Product Description
Catalog Number:
AG00IBZ7
Chemical Name:
1H-Purin-6-amine, 8-bromo-
CAS Number:
6974-78-3
Molecular Formula:
C5H4BrN5
Molecular Weight:
214.0228
MDL Number:
MFCD00082518
IUPAC Name:
8-bromo-7H-purin-6-amine
InChI:
InChI=1S/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
InChI Key:
FVXHPCVBOXMRJP-UHFFFAOYSA-N
SMILES:
Brc1nc2c([nH]1)c(N)ncn2
EC Number:
230-225-1
NSC Number:
21697
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.965g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
214.026g/mol
Monoisotopic Mass:
212.965g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis of cyclic adenosine 5'-diphosphate ribose analogues: a C2'endo/syn 'southern' ribose conformation underlies activity at the sea urchin cADPR receptor. Organic & biomolecular chemistry 20110107
8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands. Bioorganic & medicinal chemistry 20090401
[(3)H]Adenine is a suitable radioligand for the labeling of G protein-coupled adenine receptors but shows high affinity to bacterial contaminations in buffer solutions. Purinergic signalling 20070901
Chemical radiation studies of 8-bromo-2'-deoxyinosine and 8-bromoinosine in aqueous solutions. Chemistry (Weinheim an der Bergstrasse, Germany) 20061010
Synthesis and immunostimulatory activity of 8-substituted amino 9-benzyladenines as potent Toll-like receptor 7 agonists. Bioorganic & medicinal chemistry letters 20060901
Liquid chromatography-tandem mass spectrometry analysis of erythrocyte thiopurine nucleotides and effect of thiopurine methyltransferase gene variants on these metabolites in patients receiving azathioprine/6-mercaptopurine therapy. Clinical chemistry 20051101
Eosinophil peroxidase catalyzes bromination of free nucleosides and double-stranded DNA. Biochemistry 20010220
Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii. Biochemical pharmacology 19951109
Properties