HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
SB 239063
CS-402 · SB 239063 · SB-239063 · SB239063 · SB 239063 - Bio-X ? · SB 239063, 10 mM in DMSO · rans-4-[4-(4-Fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl]cyclohexano · TRANS-1-(4-HYDROXYCYCLOHEXYL)-4-(FLUOROPHENYL)-5-(2-METHOXYPYRIMIDIN-4-YL) IMIDAZOLE
Identifikatoren & physikalische Daten
| CAS No. | 193551-21-2 |
|---|---|
| Summenformel | C20H21FN4O2 |
| Durchschnittliche Molmasse | 368,4 g/mol |
| Monoisotopische Masse | 368,16485409 g/mol |
| SMILES | COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCC(O)CC2)n1 |
| InChIKey | ZQUSFAUAYSEREK-UHFFFAOYSA-N |
| PubChem CID | 5166 |
| ChEMBL | CHEMBL256835 |
| ChEBI | CHEBI:90681 |
| DTXSID | DTXSID90274455 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 73,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 469 |
| Schmelzpunkt | 206-207.2 °C |
| Siedepunkt | 594.756±60.00 °C(Press: 760.00 Torr)(predicted) |
| Dichte | 1.359±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO: 11 mg/mL |
| Aggregatzustand | White solid |
| pKa (Säurekonstante) | 15.028±0.40(predicted) |
| Farbe | white |
| InChI | InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16- |
| InChIKey | ZQUSFAUAYSEREK-WKILWMFISA-N |
| SMILES | [C@@H]1(O)CC[C@@H](N2C=NC(C3=CC=C(F)C=C3)=C2C2C=CN=C(OC)N=2)CC1 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 2933599590 |
| RTECS-Nr. | GV9458000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
SB 239063 has been used to determine the roles of c-Jun N-terminal kinase (JNK), p38 MAP kinase, and extracellular signal regulated protein kinase (ERK)/p42/p44 mitogen activated protein kinase (MAPK) on the viability and apoptosis of cardiomyocytes under glutathione S-transferase (GST) inhibition. It has also been used in neuron-microglia conditioned media (CM) experiments and pharmacokinetics.