Nevirapine
VIRAMUNE · D00435 · Nevirne · BI-RG-587 · Viramnune · Nevirapil · Weilaping · BIRG 0587
Identifikatoren & physikalische Daten
| CAS No. | 129618-40-2 |
|---|---|
| Summenformel | C15H14N4O |
| Durchschnittliche Molmasse | 266,3 g/mol |
| Monoisotopische Masse | 266,11676108 g/mol |
| SMILES | Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1 |
| InChIKey | NQDJXKOVJZTUJA-UHFFFAOYSA-N |
| PubChem CID | 4463 |
| ChEMBL | CHEMBL57 |
| ChEBI | CHEBI:63613 |
| EC No. | 603-345-0 |
| DTXSID | DTXSID7031797 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 58,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 397 |
| Schmelzpunkt | 247°C |
| Siedepunkt | 409.5°C (rough estimate) |
| Dichte | 1.1300 (rough estimate) |
| Brechungsindex | 1.6200 (estimate) |
| Flammpunkt | 9℃ |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO: ≥22mg/mL0.1g/L(temperature not stated) |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 2.8(at 25℃) |
| Farbe | white to tan |
| Merck | 14,6490 |
| BCS Class | 2 |
| Hauptanwendungen | pharmaceutical (small molecule) |
| InChI | 1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20) |
| InChIKey | NQDJXKOVJZTUJA-UHFFFAOYSA-N |
| SMILES | CC1=CC=NC2=C1NC(C(C=CC=N3)=C3N2C4CC4)=O |
| CAS Datenbank | 129618-40-2(CAS DataBase Reference) |
| EPA chemische Informationen | 6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl- (129618-40-2) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 2 |
|---|---|
| UN-Transportnummer | UN1230 - class 3 - PG 2 - Methanol, solution |
| Zollcode | 29339900 |
| RTECS-Nr. | JM5562500 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrstoffdaten | 129618-40-2(Hazardous Substances Data) |
Anwendungen & Verwendung
Beschreibung
Nevirapine and its analogues exhibit antiretroviral effect against azothymidine-resistant HIV strains. Nevirapine in combination with ZDV and ddI produced approximately 18% higher CD4 cell counts and a decrease in viral load compared with patients who took ZDV and ddI. Nevirapine is recommended with nucleosides for patients infected with HIV-1 who have experienced clinical or immunologic deterioration. The significant side effects of nevirapine are liver dysfunction and skin rashes.
Verwenden
Labelled Nevirapine , a potent (IC50=84nM) and selective non-nucleoside inhibitor of HIV-1 reverse transcriptase. Antiviral.;Labeled Nevirapine, intended for use as an internal standard for the quantification of Nevirapine by GC- or LC-mass spectrometry.