ChemicalBook--->CAS DataBase List--->578-76-7

578-76-7

578-76-7 Structure

578-76-7 Structure
IdentificationBack Directory
[Name]

7-METHYLGUANINE
[CAS]

578-76-7
[Synonyms]

Epiguanin
NSC 19647
NSC 193444
EPIGUANINE
7-methyl-guanin
7-METHYLGUANINE
N7-Methylguanine
7-METHYLGUANINE 98+%
7-METHYLGUANINE USP/EP/BP
2-Amino-7-methylhypoxanthine
2-Amino-7-methyl-7H-purin-6-ol
7-Methylguanine >=98.0% (HPLC)
2-amino-7-methyl-3H-purin-6-one
2-azanyl-7-methyl-3H-purin-6-one
2-AMINO-6-HYDROXY-7-METHYLPURINE
2-AMino-7-Methyl-1H-purin-6(7H)-one
2-amino-1,7-dihydro-7-methyl-6h-purin-6-on
2-amino-1,7-dihydro-7-methyl-6h-purin-6-one
2-Amino-7-methyl-1,7-dihydro-6H-purin-6-one
6H-Purin-6-one, 2-amino-1,7-dihydro-7-methyl-
2-Amino-6-hydroxy-7-methylpurine, Epiguanine
2-amino-7-methyl-1,7-dihydro-6H-purin-6-one578-76-7
[EINECS(EC#)]

209-431-0
[Molecular Formula]

C6H7N5O
[MDL Number]

MFCD00038003
[MOL File]

578-76-7.mol
[Molecular Weight]

165.15
Chemical PropertiesBack Directory
[Melting point ]

370°C
[Boiling point ]

292.98°C (rough estimate)
[density ]

1.3629 (rough estimate)
[refractive index ]

1.8500 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[solubility ]

Aqueous Base (Slightly)
[form ]

Solid
[pka]

9.78±0.20(Predicted)
[color ]

Light Brown to Brown
[BRN ]

174245
[InChI]

1S/C6H7N5O/c1-11-2-8-4-3(11)5(12)10-6(7)9-4/h2H,1H3,(H3,7,9,10,12)
[InChIKey]

FZWGECJQACGGTI-UHFFFAOYSA-N
[SMILES]

Cn1cnc2N=C(N)NC(=O)c12
Safety DataBack Directory
[WGK Germany ]

3
[RTECS ]

MF8464000
[F ]

10-23
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Guanosine, 7-methyl-,inner salt (9CI)-->6-methylpurine riboside-->2'-Deoxyadenosine-->2'-DEOXYGUANOSINE 5'-MONOPHOSPHATE-->6-Methylthioguanine-->6-Methoxypurine-->7-METHYLGUANOSINE-->6-Methylpurine-->6-METHOXYPURINE RIBOSIDE-->Chloromethane-->Adenosine-->Trimethyl phosphate
[Preparation Products]

2-Amino-6-chloropurine Riboside-->O6-METHYL-2'-DEOXYGUANOSINE
Hazard InformationBack Directory
[Uses]

Has binding affinity to guanine deaminase, an important metalloenzyme in purine catabolism. Found in urine of patients with malignant cancer.
[Definition]

ChEBI: A 7-methylguanine that is 1,7-dihydro-6H-purin-6-one substituted by an amino group at position 2 and a methyl group at position 7.
[IC 50]

Human Endogenous Metabolite
[Purification Methods]

Crystallise it from water. UV: at 280nm (pH 2.1). The picrate has m 267o (270-272o dec, also reported). [Beilstein 26 H
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