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4,6-Dimethylpyridin-3-amine
4,6-diMethylpyridin-3-aMine · EOS-60840 · IFLAB-BB F1957-0017 · 4,6-dimethyl-3-pyridinamine · 3-AMINO-4,6-DIMETHYLPYRIDINE · 5-AMINO-2,4-DIMETHYLPYRIDINE · 2,4-dimethyl-5-aminopyridine · 3-PyridinaMine, 4,6-diMethyl-
Identifikatoren & physikalische Daten
| CAS No. | 1193-71-1 |
|---|---|
| Summenformel | C7H10N2 |
| Durchschnittliche Molmasse | 122,17 g/mol |
| Monoisotopische Masse | 122,08439832 g/mol |
| SMILES | Cc1cc(C)c(N)cn1 |
| InChIKey | SHSQTJRJQHPJRQ-UHFFFAOYSA-N |
| PubChem CID | 7060669 |
| ChEMBL | CHEMBL4860378 |
| DTXSID | DTXSID90427646 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 38,9 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 92,9 |
| Schmelzpunkt | 68 °C |
| Siedepunkt | 255-257 °C |
| Dichte | 1.039±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | DMSO: 24 mg/mL (196.45 mM)Ethanol: 24 mg/mL (196.45 mM)Water: 24 mg/mL (196.45 mM) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 7.54±0.18(Predicted) |
| Farbe | Off-white to yellow |
| CAS Datenbank | 1193-71-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Zollcode | 2933399990 |
|---|---|
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
Anwendungen & Verwendung
Verwenden
3-Amino-4,6-dimethylpyridine is a potent inhibitor of quinolines and thiazolopyridines. It has been shown to be an allosteric inhibitor of cellular quinoline and thiazolopyridine metabolism which leads to its high potency in cells. 3-Amino-4,6-dimethylpyridine selectively inhibits the activity of these enzymes without affecting other metabolic pathways. Oral dosing results in rapid absorption and a half life of about 2 hours.