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
EC Number:
MDL number:
UNSPSC Code:
41106305
PubChem Substance ID:
biological source
synthetic (organic)
Assay
≥99%
form
powder
solubility
acetic acid: 50 mg/mL, clear, colorless
SMILES string
NC1=NC=CC(=O)N1
InChI
1S/C4H5N3O/c5-4-6-2-1-3(8)7-4/h1-2H,(H3,5,6,7,8)
InChI key
XQCZBXHVTFVIFE-UHFFFAOYSA-N
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.
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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
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 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
Scott C Johnson et al.
Nucleic acids research, 32(6), 1937-1941 (2004-03-31)
Two additional bases (isoguanosine and isocytosine), generating a third base pair, have been implemented in PCR. Enzyme fidelity for the third base pair is demonstrated using molecular thermodynamic melting, chemical cleavage and molecular beacons. When amplifying as few as 15
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