Grundinformationen
- CAS
443-72-1- Standard-SMILES
CNc1ncnc2nc[nH]c12- InChIKey
CKOMXBHMKXXTNW-UHFFFAOYSA-N- Summenformel
- C6H7N5
- Durchschnittliche Molmasse
- 149,15 g/mol
- Monoisotopische Masse
- 149,07014522
Überblick
6-methyladenine is a methyladenine that is 9H-purin-6-amine substituted by a methyl group at the amino nitrogen. It has a role as a human metabolite. It is a 6-alkylaminopurine and a methyladenine.
Namen und Bezeichner
- Bevorzugter Name
- N6-Methyladenine
- IUPAC
- N-methyl-7H-purin-6-amine
- Lokaler Name
- Methyl(purin-6-yl)amin
- Englischer Name
- 6-(METHYLAMINO)PURINE
- Summenformel
- C6H7N5
- Molmasse
- 149.15
Namen und Synonyme
443-72-1N-methyl-7H-purin-6-amineN6-Methyladenine6-Methyladenine6-MethylaminopurineN6-Monomethyladenine1H-Purin-6-amine, N-methyl-6-MAPAdenine, N-methyl-W7IBY2BGAXNSC-11580CHEBI:28871
Weitere Namen anzeigen
N-METHYLADENINEN6-MethylademineN(Sup6)-Methyladenine
N(6)-methyladenineRefChem:105017207-137-76-(Methylamino)purineN-Methyl-9H-purin-6-amine6-Monomethylaminopurine(N-6)-MethyladenineMethyl(purin-6-yl)amine
Datenbank-Bezeichner
- CAS
443-72-1- PubChem CID
- 67955
- DTXSID
DTXSID1020857- ChEMBL
CHEMBL1738843- ChEBI
CHEBI:28871- UNII
- W7IBY2BGAX
- EC Number
- 207-137-7
- Nikkaji
- J128.125I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 66,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 139
Experimentelle und physikochemische Eigenschaften
Solubility1.18 mg/mL at 20 °C
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · ≥300 °C
- Siedepunkt
- 256.3 · 256.3±50.0 °C(Predicted)
- Dichte
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- DMSO (Slightly, Heated), Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- 9.61 · 9.61±0.20(Predicted)
- Farbe
- White to Light Grey
- Major Application
- general analyticallife science and biopharmametabolomics
- InChI
- InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
- InChIKey
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- F
- 10-23
- wgk
- 3
- hs_code
- 2933998090
Chemie und Industrie
Anwendungen
Verwenden6-(Methylamino)purine, 6-methylade is a reagent for substitution of adenine nucleotide analogs containing bicyclohexane ring system locked in northern conformation enhanced potency as py receptor antagonists. Adenine methylation as an epigenic mark has been observed in single-celled organisms and also rarely in mamalian cells.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter67 Anbieter
上海康恩博医药科技有限公司17510465506 · [email protected]
Zugehörige Reaktionen
7
Notizen zur Verbindung
Wird geladen…