4-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopentene-1-methanol
Grundinformationen
- CAS
136470-78-5- Standard-SMILES
Nc1nc(NC2CC2)c2ncn(C3C=CC(CO)C3)c2n1- InChIKey
MCGSCOLBFJQGHM-UHFFFAOYSA-N- Summenformel
- C14H18N6O
- Durchschnittliche Molmasse
- 286,33 g/mol
- Monoisotopische Masse
- 286,15420922
Namen und Bezeichner
- Bevorzugter Name
- 4-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopentene-1-methanol
- IUPAC
- [4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanol
- Englischer Name
- Abacavir
- Summenformel
- C14H18N6O
- Molmasse
- 286.33
Namen und Synonyme
914348-29-1DTXSID208613374-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)-2-cyclopentene-1-methanol4-[2-amino-6-(cyclopropylamino)-9h-purin-9-yl]-2-cyclopentene-1-methanolRefChem:1069798DTXCID70208894{4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]cyclopent-2-en-1-yl}methanol(4-(2-Amino-6-(cyclopropylamino)-9h-purin-9-yl)cyclopent-2-en-1-yl)methanolC14H18N6ONSC742406[4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methanolSCHEMBL464832
Weitere Namen anzeigen
CS-1071592u89AbacavirAbacavir >Abacavir(base)Abacavir TabletAbacavir, ≥ 98.0%Abacavir USP/EP/BPAbacavir StandardAbacavir - Bio-X ?
SCHEMBL19613805HMS5084H15STL504711AKOS0374879162-Cyclopentene-1-methanol, (1S,4R)-DB-042342CS-0355065EN300-297718
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,9
- Polarare Oberfläche (TPSA)
- 102 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 21
- Formalladung
- 0
- Komplexität
- 414
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals
Physikochemische Eigenschaften
- Schmelzpunkt
- 165 ° · 165°
- Siedepunkt
- 636 · 636.0±65.0 °C(Predicted)
- Dichte
- 1.7 · 1.70±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- DMSO (Slightly, Heated), Methanol (Slightly)
- pka
- 5.01 · 5.01(at 25℃)
- Aggregatzustand
- Solid
- Farbe
- Off-White to Pale Beige
- Merck
- 14 · 14,1
- BCS Class
- 3 · 3
- CAS Datenbank
- 136470 · 136470-78-5(CAS DataBase Reference)
- EPA chemische Informationen
- 2 · 2-Cyclopentene-1-methanol, 4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-, (1S,4R)- (136470-78-5)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- hs_code
- 2933.99.7500
- RTECS-Nr.
- GY5979200
Chemie und Industrie
Anwendungen
BeschreibungThe 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.
VerwendenAbacavir 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
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