5-Hydroxy-4-(1H-indol-3-yl)-3-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-2H-pyrrol-2-one
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Grundinformationen
- CAS
425637-18-9- Standard-SMILES
CN1CCN(c2nc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc3n2)CC1- InChIKey
OAVGBZOFDPFGPJ-UHFFFAOYSA-N- Summenformel
- C25H22N6O2
- Durchschnittliche Molmasse
- 438,491 g/mol
- Monoisotopische Masse
- 438,18042394
Namen und Bezeichner
- Bevorzugter Name
- 5-Hydroxy-4-(1H-indol-3-yl)-3-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-2H-pyrrol-2-one
- IUPAC
- 5-Hydroxy-4-(1H-indol-3-yl)-3-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-2H-pyrrol-2-one
- Englischer Name
- 3-(1H-Indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione
- Summenformel
- C25H22N6O2
- Molmasse
- 438.48
Namen und Synonyme
SotrastaurinDusquetideCS-1479Sotrastaurin (AEB071)Glycerol Impurity 111AEB071AEB 071AEB-071Sotrastaurin, 10 mM in DMSO1H-benzo[d][1,2,3]triazol-5-olSotrastaurin, pan-PKC inhibitorSotrastaurin - AEB 071 | NVP-AEB 071
Datenbank-Bezeichner
- CAS
425637-18-9、949935-06-2- PubChem CID
- 10296883
- DTXSID
DTXSID70915192- ChEMBL
CHEMBL565612- ChEBI
CHEBI:90531- UNII
- 7I279E1NZ8
- Nikkaji
- J2.876.843E
Eigenschaften
Physikochemische Eigenschaften
- Dichte
- 1.406 · 1.406
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 21.9 mg/mL · ≥21.9 mg/mL in DMSO; insoluble in H2O; ≥2.55 mg/mL in EtOH with ultrasonic
- Aggregatzustand
- solid
- pka
- 7.39 · 7.39±0.60(Predicted)
- Farbe
- Pink to red
- InChI
- 1S/C25H22N6O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18/h2-9,14,26H,10-13H2,1H3,(H,29,32,33)
- InChIKey
- OAVGBZOFDPFGPJ-UHFFFAOYSA-N
- SMILES
- N1C(=O)C(C2=C3C(=NC(N4CCN(C)CC4)=N2)C=CC=C3)=C(C2C3=C(NC=2)C=CC=C3)C1=O
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
VerwendenA potent selective pan-PKC inhibitor and highly inhibits PKCθ with a Ki of 0.22 nM.
Anbieter100 Anbieter
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Ergänzende Hinweise
DefinitionChEBI: A member of the class of maleimides that is maleimide which is substituted at position 3 by an indol-3-yl group and at position 4 by a quinazolin-4-yl group, which in turn is substituted at position 2 by a 4-methylpiperazin-1-yl group. It is a potent and s lective inhibitor of protein kinase C and has been investigated as an immunosuppresant in renal transplant patients.
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