HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
JNK inhibitor IX
CS-320 · JNK-5A · SC-20267 · SC-202671 · TCS JNK 5a · F0016-0404 · SC-202671, >98% · TCS JNK 5a, >98%
Identifikatoren & physikalische Daten
| CAS No. | 312917-14-9 |
|---|---|
| Summenformel | C20H16N2OS |
| Durchschnittliche Molmasse | 332,4 g/mol |
| Monoisotopische Masse | 332,09833413 g/mol |
| SMILES | N#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCCC2 |
| InChIKey | WQGDQGAFSDMBLA-UHFFFAOYSA-N |
| PubChem CID | 766949 |
| ChEMBL | CHEMBL233001 |
| ChEBI | CHEBI:91453 |
| DTXSID | DTXSID70354224 |
Chemische & physikalische Eigenschaften
| XLogP | 5,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 81,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 527 |
| Schmelzpunkt | 88-90oC |
| Siedepunkt | 486.8±45.0 °C(Predicted) |
| Dichte | 1.32±0.1 g/cm3 (20 ºC 760 Torr) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in DMSO (up to 13 mg/ml with warming) or in Ethanol (up to 4 mg/ml with warming) |
| Aggregatzustand | Tan solid |
| pKa (Säurekonstante) | 11.95±0.20(Predicted) |
| Farbe | Off-white |
| Stabilität | Stable for 2 years from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months. |
| InChI | 1S/C20H16N2OS/c21-12-17-15-9-3-4-11-18(15)24-20(17)22-19(23)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11H2,(H,22,23) |
| InChIKey | WQGDQGAFSDMBLA-UHFFFAOYSA-N |
| SMILES | [s]1c2c(c(c1NC(=O)c3c4c(ccc3)cccc4)C#N)CCCC2 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Zollcode | 2934999090 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
JNK Inhibitor IX is a potent and selective inhibitor of JNK2 and JNK3. Neuroresearch & Neuroprotective Product.