HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
L 697639
L 697639 · 5-Ethyl-6-methyl-3-(4,7-dimethylbenzoxazole-2-ylmethylamino)-2(1H)-pyridinone · 5-Ethyl-6-methyl-3-[[(4,7-dimethylbenzoxazol-2-yl)methyl]amino]pyridin-2(1H)-one · 3-[[(4,7-Dimethylbenzoxazol-2-yl)methyl]amino]-5-ethyl-6-methylpyridin-2(1H)-one · 3-[(4,7-Dimethylbenzoxazole-2-ylmethyl)amino]-5-ethyl-6-methylpyridine-2(1H)-one
Identifikatoren & physikalische Daten
| CAS No. | 135525-77-8 |
|---|---|
| Summenformel | C18H21N3O2 |
| Durchschnittliche Molmasse | 311,4 g/mol |
| Monoisotopische Masse | 311,16337691 g/mol |
| SMILES | CCc1cc(NCc2nc3c(C)ccc(C)c3o2)c(=O)[nH]c1C |
| InChIKey | VDZJXIOFISBBLT-UHFFFAOYSA-N |
| PubChem CID | 60832 |
| ChEMBL | CHEMBL37803 |
| DTXSID | DTXSID50159456 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 540 |
| Siedepunkt | 531.043±50.00 °C(Press: 760.00 Torr)(predicted) |
| Dichte | 1.208±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (Säurekonstante) | 13.531±0.10(predicted) |
| FDA UNII | HND0YP0TJG |
Anwendungen & Verwendung
Uses
L-697639 is an inhibitor for HIV-1 reverse transcriptase (HIV-1 RT) with IC50 of 20-400 nM (in a template-primer-dependent manner). L-697639 exhibits antiviral activity, that inhibits 95% HIV-1 infection at concentrations of 12-200 nM in human T lymphocyte cultures[1].