4-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopentene-1-methanol
CS-107 · 1592u89 · Abacavir · Abacavir >Abacavir(base) · Abacavir Tablet · Abacavir, ≥ 98.0% · Abacavir USP/EP/BP · Abacavir Standard
Identifikatoren & physikalische Daten
| CAS No. | 136470-78-5 |
|---|---|
| Summenformel | C14H18N6O |
| Durchschnittliche Molmasse | 286,33 g/mol |
| Monoisotopische Masse | 286,15420922 g/mol |
| SMILES | Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)C3)c2n1 |
| InChIKey | MCGSCOLBFJQGHM-UHFFFAOYSA-N |
| PubChem CID | 1971 |
| DTXSID | DTXSID20861337 |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 102 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 414 |
| Arzneimittel | Pharmaceuticals |
| Schmelzpunkt | 165° |
| Siedepunkt | 636.0±65.0 °C(Predicted) |
| Dichte | 1.70±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | DMSO (Slightly, Heated), Methanol (Slightly) |
| pKa (Säurekonstante) | 5.01(at 25℃) |
| Aggregatzustand | Solid |
| Farbe | Off-White to Pale Beige |
| Merck | 14,1 |
| BCS Class | 3 |
| CAS Datenbank | 136470-78-5(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4R)- (136470-78-5) |
Sicherheit & Vorschriften
| Zollcode | 2933.99.7500 |
|---|---|
| RTECS-Nr. | GY5979200 |
Anwendungen & Verwendung
Beschreibung
The drug is extensively metabolized via stepwise phosphorylation to 5′-mono-, di-, and triphosphate. Abacavir is well absorbed (>75%) and penetrates the CNS. The drug can be taken without regard to meals. The drug does not show any clinically significant drug–drug interactions. Abacavir has been reported to produce life-threatening hypersensitivity reactions. The major use of abacavir appears to be in combination with other nucleoside RT inhibitors. A fixed-combination product has recently been approved by the U.S. FDA consisting of 300 mg of ABC, 150 mg of 3TC, and 300 mg of ZDV (Trizivar). The combination has been shown to be superior to other combinations in reducing viral load as well as to show improvement in CD4 cell count.
Verwenden
Abacavir is a commonly used nucleoside analogue with potent antiviral activity against HIV-1. - See more at: http://www.selleckchem.com/products/abacavir-sulfate.html#sthash.lApvcTNO.dpuf