Apabetalone
Grundinformationen
- CAS
1044870-39-4- Standard-SMILES
COc1cc(OC)c2c(=O)[nH]c(-c3cc(C)c(OCCO)c(C)c3)nc2c1- InChIKey
NETXMUIMUZJUTB-UHFFFAOYSA-N- Summenformel
- C20H22N2O5
- Durchschnittliche Molmasse
- 370,4 g/mol
- Monoisotopische Masse
- 370,15287181
Namen und Bezeichner
- Bevorzugter Name
- Apabetalone
- IUPAC
- 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
- Englischer Name
- RVX-208
- Summenformel
- C20H22N2O5
- Molmasse
- 370.4
Namen und Synonyme
Apabetalone1044870-39-4RVX-2082-(4-(2-Hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-oneRVX 208RVX000222RVX208Apabetalona2-[4-(2-Hydroxyethoxy)-3,5-Dimethylphenyl]-5,7-Dimethoxyquinazolin-4(3h)-One8R4A7GDZ1D2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxy-4(1H)-quinazolinoneapabetalonum
Weitere Namen anzeigen
CS-686CS-1815RVX-208 USP/EP/BPRVX-208(RVX000222)RVX-208(RVX 000222)Apabetalone-RVX-208Apabetalone, 10 mM in DMSO
2-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxy-1,4-dihydroquinazolin-4-one2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1,4-dihydroquinazolin-4-oneRefChem:558387RVX-000222Apabetalone [INN]UNII-8R4A7GDZ1DRVX 000222C20H22N2O5
Datenbank-Bezeichner
- CAS
1044870-39-4- PubChem CID
- 135564749
- DTXSID
DTXSID90146502
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,3
- Polarare Oberfläche (TPSA)
- 89,4 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 542
Physikochemische Eigenschaften
- Siedepunkt
- 594.2 · 594.2±60.0 °C(Predicted)
- Dichte
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C (des.)
- Löslichkeit
- Soluble in DMSO (up to 75 mg/ml) or in Ethanol (up to 4 mg/ml).
- Aggregatzustand
- solid
- pka
- 14.21 · 14.21±0.10(Predicted)
- Farbe
- White
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 month.
Sicherheit und Regulatorisches
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H371
Chemie und Industrie
Anwendungen
BeschreibungThe bromodomain and extra terminal (BET) proteins interact with acetylated lysine-containing sequences on target proteins via their bromodomains, commonly altering gene transcription. The human BET proteins contain two bromodomains, the first (BD1) being closer to the N-terminus than the second (BD2). RVX-208 is a selective antagonist of BET bromodomains, binding with 10-100-fold higher affinity for BD2 (IC50 = 0.04-0.28 μM) over BD1 (IC50 = 1.8-3.1 μM). RVX-208 causes the selective release of BET proteins from chromatin in cells. It interferes with the BET protein BRD4, resulting in an increased expression of apolipoprotein (Apo) A1 in cells, mice, monkeys, and humans. RVX-208 also reduces atherosclerosis in hyperlipidemic ApoE-deficient mice.
VerwendenRVX-208 is a selective antagonist of bromodomain and extra terminal (BET)’s bromodomains.
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