O-(6)-Methylguanine

HCID 65275CAS 20535-83-5
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Grundinformationen

Standard-SMILES
COc1nc(N)nc2nc[nH]c12
InChIKey
BXJHWYVXLGLDMZ-UHFFFAOYSA-N
Summenformel
C6H7N5O
Durchschnittliche Molmasse
165,15 g/mol
Monoisotopische Masse
165,06505984

Überblick

6-O-methylguanine is a methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA. It has a role as a mutagen.

Namen und Bezeichner

Bevorzugter Name
O-(6)-Methylguanine
IUPAC
6-methoxy-7H-purin-2-amine
Englischer Name
6-O-Methyl-guanine
Summenformel
C6H7N5O
Molmasse
165.15

Namen und Synonyme

20535-83-56-Methoxyguanine6-O-Methylguanine6-Methoxy-7H-purin-2-amineO6-MethylguanineO-(6)-Methylguanine1H-Purin-2-amine, 6-methoxy-Purine, 2-amino-6-methoxy-6-Methoxy-1H-purine-2-amineO(sup 6)-MethylguanineDTXSID9049405O(6)-methylguanine
Weitere Namen anzeigen
6-methoxy-9h-purin-2-amineO-METHYLGUANINEo(sup6)-methylguanine6-O-Methylguanine 97%Aminomethoxypurine,97%
NSC 37364NSC-373649B710FV2AEDTXCID8029365CHEBI:20689METHYLGUANINE, O(6)-NELARABINE METABOLITE (METHYLGUANINE)6-methylguanine

Datenbank-Bezeichner

CAS
20535-83-5
PubChem CID
65275
DTXSID
DTXSID9049405
ChEMBL
CHEMBL226395
ChEBI
CHEBI:20689
UNII
9B710FV2AE
EC Number
606-576-5
Nikkaji
J122.003I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,2
Polarare Oberfläche (TPSA)
89,7 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
1
Schwere Atome
12

Experimentelle und physikochemische Eigenschaften

Solubility>24.8 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt
300 °C · >300 °C(lit.)
Siedepunkt
598.5 · 598.5±53.0 °C(Predicted)
Dichte
1.531 · 1.531±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit
DMSO (Slightly, Heated), Water (Slightly, Heated)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
hs_code
29349990
RTECS-Nr.
UO7473000
hazard_code
Xi
hazard_note
Irritant
safety_code
24/25

Chemie und Industrie

Anwendungen

VerwendenAntitumor agent

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: A methylguanine in which the methyl group is positioned on the oxygen at position 6. Formed in DNA by alkylation of the oxygen atom of guanine, most often by N-nitroso compounds and sometimes due to methylation by other compounds such as endogenous S-adenosylmethionine, it base-pairs to thymine rather than cytidine, causing a G:C to A:T transition in DNA.

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