HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo(2,3-a)pyrrolo(3,4-c)carbazole
G6976 · GO 6976 · GOE 6976 · PD406976 · Aids044729 · Aids-044729 · Go6976 Go-6976 · Go6976 (PD40697)
Identifikatoren & physikalische Daten
| CAS No. | 136194-77-9 |
|---|---|
| Summenformel | C24H18N4O |
| Durchschnittliche Molmasse | 378,4 g/mol |
| Monoisotopische Masse | 378,1480612 g/mol |
| SMILES | Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O |
| InChIKey | VWVYILCFSYNJHF-UHFFFAOYSA-N |
| PubChem CID | 3501 |
| ChEMBL | CHEMBL302449 |
| ChEBI | CHEBI:51913 |
| DTXSID | DTXSID70159731 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 29 |
| Formalladung | 0 |
| Komplexität | 730 |
| Schmelzpunkt | >221°C (dec.) |
| Siedepunkt | 652.3±55.0 °C(Predicted) |
| Dichte | 1.41±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,2-8°C |
| Löslichkeit | Acetonitrile (Very Slightly, Heated), DMSO (Slightly), Methanol (Very Slightly) |
| Aggregatzustand | Off-white solid |
| pKa (Säurekonstante) | 14.39±0.20(Predicted) |
| Farbe | White to Off-White |
| InChI | InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29) |
| InChIKey | VWVYILCFSYNJHF-UHFFFAOYSA-N |
| SMILES | N1(C)C2=C(C=CC=C2)C2=C1C1N(CCC#N)C3=C(C=1C1CNC(=O)C=12)C=CC=C3 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 1 |
|---|---|
| Zollcode | 2933998090 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Go 6976 is a potent FLT3 inihibtor which is been shown to initiate cytotoxicity involving acute leukemia. Also known as a PKC inhibitor, which results into apoptosis and tumor destruction. Cancer therapeutic agent.