HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
JK184
JK 184 · CS-2369 · JK184 (JK-184 · JK184, 10 mM in DMSO · Hh Signaling Antagonist VII · Hh Signaling Antagonist VII, JK184 · JK 184, Hedgehog signaling inhibitor · JK-184
Identifikatoren & physikalische Daten
| CAS No. | 315703-52-7 |
|---|---|
| Summenformel | C19H18N4OS |
| Durchschnittliche Molmasse | 350,4 g/mol |
| Monoisotopische Masse | 350,12013238 g/mol |
| SMILES | CCOc1ccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)cc1 |
| InChIKey | ROYXIPOUVGDTAO-UHFFFAOYSA-N |
| PubChem CID | 1069686 |
| ChEMBL | CHEMBL514622 |
| EC No. | 683-690-1 |
| DTXSID | DTXSID70360042 |
Chemische & physikalische Eigenschaften
| XLogP | 5,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 79,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 25 |
| Formalladung | 0 |
| Komplexität | 432 |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | DMSO: ≥20mg/mL |
| Aggregatzustand | powder |
| Farbe | off-white to light brown |
| InChI | 1S/C19H18N4OS/c1-3-24-15-9-7-14(8-10-15)21-19-22-16(12-25-19)18-13(2)20-17-6-4-5-11-23(17)18/h4-12H,3H2,1-2H3,(H,21,22) |
| InChIKey | ROYXIPOUVGDTAO-UHFFFAOYSA-N |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| R-Sätze (R) | 22-41 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
JK 184 is an imidazopyridine derivative that inhibits downstream hedgehog signaling, preventing Gli-dependent transcriptional activity (IC50 = 30 nM). It does so by inhibiting alcohol dehydrogenase 7 (IC50 = 210 nM) and depolymerizing microtubules, preventing their assembly, which is crucial for Gli function. JK 184 exhibits antiproliferative activity in a range of cancer cell lines (L3.6pl, Panc 05.04, BxPC3, D283 med, Daoy; GI50s = 3-21 nM) and in L3.6pl and BxPC3 pancreatic cancer xenograft models (0.2 mg/mouse/day).[Cayman Chemical]