HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Syk Inhibitor II
Syk Inhibitor II, 10 mM in DMSO · 2-((2-Aminoethyl)amino)-4-((3-(trifluoromethyl)phenyl)amino)pyrimidine-5-carboxamide · 5-Pyrimidinecarboxamide, 2-[(2-aminoethyl)amino]-4-[[3-(trifluoromethyl)phenyl]amino]- · ATP-competitive,Serotonin Receptor,antigen,inhibit,Spleen tyrosine kinase,Syk Inhibitor II,Anti-allergic,pyrimidine-carboxamide,Inhibitor,Syk,5-HT Receptor,5-hydroxytryptamine Receptor
Identifikatoren & physikalische Daten
| CAS No. | 726695-51-8 |
|---|---|
| Summenformel | C14H15F3N6O |
| Durchschnittliche Molmasse | 340,3 g/mol |
| Monoisotopische Masse | 340,12594361 g/mol |
| SMILES | NCCNc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1 |
| InChIKey | FQNFLNSVHWCZML-UHFFFAOYSA-N |
| PubChem CID | 9549296 |
| ChEMBL | CHEMBL471901 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 119 |
| H-Brücken-Donoren | 4 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 422 |
| Schmelzpunkt | 270-272 °C (decomp)(Solv: water (7732-18-5)ethanol (64-17-5)) |
| Siedepunkt | 541.6±60.0 °C(Predicted) |
| Dichte | 1.455±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| Löslichkeit | DMF: 25 mg/mlDMSO: 15 mg/ml |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | 14.04±0.50(Predicted) |
| Farbe | White to off-white |