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2240-25-7 | 4-Amino-5-bromopyrimidin-2(1H)-one
CAS No: 2240-25-7 Catalog No: AG0033WF MDL No:MFCD00056025
Product Description
Catalog Number:
AG0033WF
Chemical Name:
4-Amino-5-bromopyrimidin-2(1H)-one
CAS Number:
2240-25-7
Molecular Formula:
C4H4BrN3O
Molecular Weight:
189.9981
MDL Number:
MFCD00056025
IUPAC Name:
6-amino-5-bromo-1H-pyrimidin-2-one
InChI:
InChI=1S/C4H4BrN3O/c5-2-1-7-4(9)8-3(2)6/h1H,(H3,6,7,8,9)
InChI Key:
QFVKLKDEXOWFSL-UHFFFAOYSA-N
SMILES:
Nc1nc(=O)[nH]cc1Br
EC Number:
218-806-8
UNII:
2737MSZ714
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.954g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190g/mol
Monoisotopic Mass:
188.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| DNA duplexes and triplex-forming oligodeoxynucleotides incorporating modified nucleosides forming stable and selective triplexes. | Organic & biomolecular chemistry 20120207 |
| Epigenetics of chronic rhinosinusitis and the role of the eosinophil. | International forum of allergy & rhinology 20120101 |
| Enzymatic synthesis of long double-stranded DNA labeled with haloderivatives of nucleobases in a precisely pre-determined sequence. | BMC biochemistry 20110101 |
| Epigenomics in environmental health. | Frontiers in genetics 20110101 |
| Xanthine oxidase-activated prodrugs of thymidine phosphorylase inhibitors. | European journal of medicinal chemistry 20080601 |
| Electrophysiological characterization of nicotinic acetylcholine receptors in cat petrosal ganglion neurons in culture: effects of cytisine and its bromo derivatives. | Brain research 20060209 |
| Formation of intrastrand cross-link products between cytosine and adenine from UV irradiation of d((Br)CA) and duplex DNA containing a 5-bromocytosine. | Journal of the American Chemical Society 20051012 |
| Analysis of vibrational spectra of 5-fluoro, 5-chloro and 5-bromo-cytosines based on density functional theory calculations. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20050301 |
| Synthesis and enzymatic evaluation of xanthine oxidase-activated prodrugs based on inhibitors of thymidine phosphorylase. | Bioorganic & medicinal chemistry letters 20041101 |
| Lifetime regulation of the charge-separated state in DNA by modulating the oxidation potential of guanine in DNA through hydrogen bonding. | Journal of the American Chemical Society 20041013 |
| Facile formation of an intrastrand cross-link lesion between cytosine and guanine upon pyrex-filtered UV light irradiation of d((Br)CG) and duplex DNA containing 5-bromocytosine. | Journal of the American Chemical Society 20040602 |
| Activity of cytisine and its brominated isosteres on recombinant human alpha7, alpha4beta2 and alpha4beta4 nicotinic acetylcholine receptors. | Journal of neurochemistry 20010901 |
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