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3066-84-0 | 6H-Purin-6-one, 2-amino-8-bromo-1,9-dihydro-
CAS No: 3066-84-0 Catalog No: AG0030SI MDL No:
Product Description
Catalog Number:
AG0030SI
Chemical Name:
6H-Purin-6-one, 2-amino-8-bromo-1,9-dihydro-
CAS Number:
3066-84-0
Molecular Formula:
C5H4BrN5O
Molecular Weight:
230.0222
IUPAC Name:
2-amino-8-bromo-1,7-dihydropurin-6-one
InChI:
InChI=1S/C5H4BrN5O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H4,7,8,9,10,11,12)
InChI Key:
CRYCZDRIXVHNQB-UHFFFAOYSA-N
SMILES:
Brc1[nH]c2c(n1)c(=O)[nH]c(n2)N
EC Number:
221-320-9
NSC Number:
7845
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
230.025g/mol
Monoisotopic Mass:
228.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Effects of site-specific guanine C8-modifications on an intramolecular DNA G-quadruplex. | Biophysical journal 20111019 |
| RNA internal loops with tandem AG pairs: the structure of the 5'GAGU/3'UGAG loop can be dramatically different from others, including 5'AAGU/3'UGAA. | Biochemistry 20100713 |
| A study of the interactions that stabilize DNA frayed wires. | Biophysical chemistry 20100401 |
| Orientation of ends of G-quadruplex structure investigated with end-extended oligonucleotides. | Nucleic acids symposium series (2004) 20080101 |
| Kinetic conformational analysis of human 8-oxoguanine-DNA glycosylase. | The Journal of biological chemistry 20070112 |
| Tautomerism in the guanyl radical. | Journal of the American Chemical Society 20061025 |
| Chemical radiation studies of 8-bromo-2'-deoxyinosine and 8-bromoinosine in aqueous solutions. | Chemistry (Weinheim an der Bergstrasse, Germany) 20061010 |
| The new models of the human telomere d[AGGG(TTAGGG)3] in K+ solution. | Bioorganic & medicinal chemistry 20060815 |
| The new models of the human telomere DNA in K+ solution revealed by NMR analysis assisted by the incorporation of 8-bromoguanines. | Nucleic acids symposium series (2004) 20060101 |
| Excess electron transfer in G-quadruplex. | Chemical communications (Cambridge, England) 20040807 |
| Effects of an 8-bromodeoxyguanosine incorporation on the parallel quadruplex structure [d(TGGGT)]4. | Organic & biomolecular chemistry 20040207 |
| Flipping duplex DNA inside out: a double base-flipping reaction mechanism by Escherichia coli MutY adenine glycosylase. | The Journal of biological chemistry 20020607 |
| An ab initio study of electronic structure and spectra of 8-bromoguanine: a comparative study with guanine. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20011001 |
| GTP cyclohydrolase I feedback regulatory protein-dependent and -independent inhibitors of GTP cyclohydrolase I. | Archives of biochemistry and biophysics 20010401 |
| Synthesis and properties of oligonucleotides containing 8-bromo-2'-deoxyguanosine. | Nucleosides, nucleotides & nucleic acids 20010301 |
| Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii. | Biochemical pharmacology 19951109 |
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