I2127
Isocytosine
≥99%
Synonym(s):
2-Amino-4-hydroxypyrimidine, 2-Aminouracil
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About This Item
Empirical Formula (Hill Notation):
C4H5N3O
CAS Number:
Molecular Weight:
111.10
UNSPSC Code:
41106305
PubChem Substance ID:
EC Number:
203-592-0
MDL number:
Assay:
≥99%
Biological source:
synthetic (organic)
Form:
powder
Solubility:
acetic acid: 50 mg/mL, clear, colorless
InChI key
XQCZBXHVTFVIFE-UHFFFAOYSA-N
InChI
1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
SMILES string
NC1=NC=CC(=O)N1
biological source
synthetic (organic)
assay
≥99%
form
powder
solubility
acetic acid: 50 mg/mL, clear, colorless
Application
Isocytosine (2-aminouracil) is an isomer of cytosine used in physical chemical studies involving metal complex binding, hydrogen-bonding, and tautomerism and proton transfer effects in nucleobases.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Stefan Geschwindner et al.
Journal of medicinal chemistry, 50(24), 5903-5911 (2007-11-08)
Fragment-based lead generation was applied to find novel small-molecule inhibitors of beta-secretase (BACE-1), a key target for the treatment of Alzheimer's disease. Fragment hits coming from a 1D NMR screen were characterized by BIAcore, and the most promising compounds were
T K Ha et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 57(1), 55-72 (2001-02-24)
Results of a search for correlations between typical group mode frequencies and conformation of -OH and =NH substituents is reported. The study is based on quantum chemical data (HF/6-31G (d, p) and MP2 (full)/6-31G (d, p) approximations) of 13 isomers
Chandrika B-Rao et al.
Bioorganic & medicinal chemistry, 20(9), 2930-2939 (2012-04-10)
In recent years, xanthine oxidase has emerged as an important target not only for gout but also for cardiovascular and metabolic disorders involving hyperuricemia. Contrary to popular belief, recent clinical trials with uricosurics have demonstrated that enhanced excretion of uric
T M Chin et al.
Biochemistry, 39(40), 12457-12464 (2000-10-04)
The formation of a DNA "paper-clip" type triple helix (triplex) with a common sequence 5'-d-(TC)(3)T(a)()(CT)(3)C(b)()(AG)(3) (a and b = 0-4) was studied by UV thermal melting experiments and CD spectra. These DNA oligomers form triplexes and duplexes under slightly acidic
X L Yang et al.
Biophysical journal, 75(3), 1163-1171 (1998-09-03)
Isoguanine (2-hydroxyladenine) is a product of oxidative damage to DNA and has been shown to cause mutation. It is also a potent inducer of parallel-stranded DNA duplex structure. The structure of the parallel-stranded DNA duplex (PS-duplex) 5'-d(TiGiCAiCiGiGAiCT) + 5'-d(ACGTGCCTGA), containing
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