HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-(2-(4-((4-Fluorphenyl)phenylme-thylen)-1-piperidinyl)ethyl)-7-methyl-5H-thiazol(3,2-a)pyrimidin-5-on
DKI · DAGK · DGKE · DGKI · DAGK4 · DAGK7 · DGK-θ · DAGK2
Identifikatoren & physikalische Daten
| CAS No. | 93076-89-2 |
|---|---|
| Summenformel | C27H26FN3OS |
| Durchschnittliche Molmasse | 459,6 g/mol |
| Monoisotopische Masse | 459,1780618 g/mol |
| SMILES | Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccccc2)c2ccc(F)cc2)CC1 |
| InChIKey | MFVJXLPANKSLLD-UHFFFAOYSA-N |
| PubChem CID | 3012 |
| ChEMBL | CHEMBL259388 |
| ChEBI | CHEBI:92958 |
| DTXSID | DTXSID20239254 |
| Lokaler Name | 6-(2-(4-((4-Fluorphenyl)phenylme-thylen)-1-piperidinyl)ethyl)-7-methyl-5H-thiazol(3,2-a)pyrimidin-5-on |
Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 61,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 33 |
| Formalladung | 0 |
| Komplexität | 868 |
| Siedepunkt | 619.8±65.0 °C(Predicted) |
| Dichte | 1.26±0.1 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | 0.1 M HCl: slightly soluble |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 7.76±0.20(Predicted) |
| Farbe | pale yellow |
| Biologische Quelle | synthetic (organic) |
| Stabilität | Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months. |
| InChI | 1S/C27H26FN3OS/c1-19-24(26(32)31-17-18-33-27(31)29-19)13-16-30-14-11-22(12-15-30)25(20-5-3-2-4-6-20)21-7-9-23(28)10-8-21/h2-10,17-18H,11-16H2,1H3 |
| InChIKey | MFVJXLPANKSLLD-UHFFFAOYSA-N |
| SMILES | Fc1ccc(cc1)C(=C3CCN(CC3)CCc4[c]([n]5c([s]cc5)nc4C)=O)c2ccccc2 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
R-59-022 acts as an inducer of apoptosis in glioblastoma cells and avoids apoptosis in non-cancerous cells. This selectivity makes this drug a highly effective anti-cancer agent. Diacylglycerol Kinase inhibitor.