HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl(purin-6-yl)amin
N6-METHYLADENINE · 6-Methyladenine · N-Methyl-9H-purin-6-amine · N-methyl-7H-purin-6-amine · N-METHYLADENINE · N6-Methylademine · Adenine, N-methyl- · N6-Monomethyladenine
Identifikatoren & physikalische Daten
| CAS No. | 443-72-1 |
|---|---|
| Summenformel | C6H7N5 |
| Durchschnittliche Molmasse | 149,15 g/mol |
| Monoisotopische Masse | 149,07014522 g/mol |
| SMILES | CNc1ncnc2nc[nH]c12 |
| InChIKey | CKOMXBHMKXXTNW-UHFFFAOYSA-N |
| PubChem CID | 67955 |
| ChEMBL | CHEMBL1738843 |
| ChEBI | CHEBI:28871 |
| EC No. | 207-137-7 |
| DTXSID | DTXSID1020857 |
| Lokaler Name | Methyl(purin-6-yl)amin |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 139 |
| Löslichkeit | 1.18 mg/mL at 20 °CDMSO (Slightly, Heated), Methanol (Slightly, Heated) |
| Physical Description | Solid |
| Schmelzpunkt | ≥300 °C |
| Siedepunkt | 256.3±50.0 °C(Predicted) |
| Dichte | 1.57±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.61±0.20(Predicted) |
| Farbe | White to Light Grey |
| Hauptanwendungen | 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 | CKOMXBHMKXXTNW-UHFFFAOYSA-N |
| SMILES | N1=CN=C(NC)C=2NC=NC12 |
| CAS Datenbank | 443-72-1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| F | 10-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933998090 |
Anwendungen & Verwendung
Verwenden
6-(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.