7-Methylguanine - CAS 578-76-7

Catalog:	BB029856
Product Name:	7-Methylguanine
CAS:	578-76-7
Synonyms:	2-amino-7-methyl-1H-purin-6-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	2-amino-7-methyl-1H-purin-6-one
Description:	Has binding affinity to guanine deaminase, an important metalloenzyme in purine catabolism. Found in urine of patients with malignant cancer.
Molecular Weight:	165.15
Molecular Formula:	C6H7N5O
Canonical SMILES:	CN1C=NC2=C1C(=O)NC(=N2)N
InChI:	InChI=1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
InChI Key:	FZWGECJQACGGTI-UHFFFAOYSA-N
Boiling Point:	503.9 °C at 760 mmHg
Melting Point:	370 °C
Density:	1.83 g/cm³
Appearance:	Solid
LogP:	-0.18000

Publication Number	Title	Priority Date
CN-112986431-A	Method for identifying organic milk and conventional milk based on metabonomics	20210218
CN-112813148-A	Method for detecting 5-hydroxymethylcytosine by flight time mass spectrum	20210202
CN-112941156-A	Method for detecting absolute quantification of genome damage sites by using paper chip and application	20210121
CN-112391449-A	Multifunctional DNA isothermal amplification method with flexible primer design and application thereof	20210119
CN-112391449-B	Multifunctional DNA isothermal amplification method with flexible primer design and application thereof	20210119

PMID	Publication Date	Title	Journal
28349193	20171001	Time-matched analysis of DNA adduct formation and early gene expression as predictive tool for renal carcinogenesis in methylazoxymethanol acetate treated Eker rats	Archives of toxicology
23280859	20140201	Metabonomics evaluation of urine from rats administered with phorate under long-term and low-level exposure by ultra-performance liquid chromatography-mass spectrometry	Journal of applied toxicology : JAT
22554094	20120613	Gas-phase studies of purine 3-methyladenine DNA glycosylase II (AlkA) substrates	Journal of the American Chemical Society
22683793	20120601	Structure-function studies of an unusual 3-methyladenine DNA glycosylase II (AlkA) from Deinococcus radiodurans	Acta crystallographica. Section D, Biological crystallography
22354137	20120528	7-Methylguanine: protonation, formation of linkage isomers with trans-(NH3)2Pt(II), and base pairing properties	Dalton transactions (Cambridge, England : 2003)

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Related Functional Groups

Purines

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9-(prop-2-yn-1-yl)-9H-purin-6-amine
[1904-98-9]
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8-bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
[15837-08-8]
3,9-Dimethylxanthine
[20535-83-5]
6-O-Methylguanine
[93703-24-3]
8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione

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Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.06505986
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.06505986
Rotatable Bond Count:	0
Topological Polar Surface Area:	85.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.1