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2958-98-7 | 6H-Purin-6-one, 2-amino-3,9-dihydro-3-methyl-
CAS No: 2958-98-7 Catalog No: AG002YTC MDL No:
Product Description
Catalog Number:
AG002YTC
Chemical Name:
6H-Purin-6-one, 2-amino-3,9-dihydro-3-methyl-
CAS Number:
2958-98-7
Molecular Formula:
C6H7N5O
Molecular Weight:
165.1527
IUPAC Name:
2-amino-3-methyl-7H-purin-6-one
InChI:
InChI=1S/C6H7N5O/c1-11-4-3(8-2-9-4)5(12)10-6(11)7/h2H,1H3,(H,8,9)(H2,7,10,12)
InChI Key:
XHBSBNYEHDQRCP-UHFFFAOYSA-N
SMILES:
Cn1c(N)nc(=O)c2c1[nH]cn2
EC Number:
220-988-9
NSC Number:
62622
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
165.156g/mol
Monoisotopic Mass:
165.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Gas-phase studies of purine 3-methyladenine DNA glycosylase II (AlkA) substrates. | Journal of the American Chemical Society 20120613 |
| DNA glycosylases: in DNA repair and beyond. | Chromosoma 20120201 |
| Structural basis for the inhibition of human alkyladenine DNA glycosylase (AAG) by 3,N4-ethenocytosine-containing DNA. | The Journal of biological chemistry 20110415 |
| Immunohistochemical analysis of oxidative stress and DNA repair proteins in normal mammary and breast cancer tissues. | BMC cancer 20100101 |
| A new protein superfamily includes two novel 3-methyladenine DNA glycosylases from Bacillus cereus, AlkC and AlkD. | Molecular microbiology 20060301 |
| The Bacillus subtilis counterpart of the mammalian 3-methyladenine DNA glycosylase has hypoxanthine and 1,N6-ethenoadenine as preferred substrates. | The Journal of biological chemistry 20040402 |
| DNA damage and cytotoxicity induced by minor groove binding methyl sulfonate esters. | Biochemistry 20031209 |
| Methylpurine DNA glycosylase of the hyperthermophilic archaeon Archaeoglobus fulgidus. | Biochemistry 20021022 |
| Determination of urinary methylated purine pattern by high-performance liquid chromatography. | Journal of chromatography. B, Biomedical sciences and applications 20010210 |
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