HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Gsk2193874
GSK2193874 · GSK2193874 ，S8367 · GSK2193874 >=98% (HPLC) · GSK 2193874 · GSK2193874, 10 mM in DMSO · TRPV4 antagonist GS2193874 · GSK2193874,inhibit,GSK 2193874,Transient receptor potential channels,GSK-2193874,Inhibitor,TRP Channel · 3-([1,4'-Bipiperidin]-1'-ylmethyl)-7-bromo-N-(1-phenylcyclopropyl)-2-(3-(trifluoromethyl)phenyl)quinoline-4-carboxamide
Identifikatoren & physikalische Daten
| CAS No. | 1336960-13-4 |
|---|---|
| Summenformel | C37H38BrF3N4O |
| Durchschnittliche Molmasse | 691,6 g/mol |
| Monoisotopische Masse | 690,21811 g/mol |
| SMILES | O=C(NC1(c2ccccc2)CC1)c1c(CN2CCC(N3CCCCC3)CC2)c(-c2cccc(C(F)(F)F)c2)nc2cc(Br)ccc12 |
| InChIKey | UIVOZBSCHXCGPS-UHFFFAOYSA-N |
| PubChem CID | 53464483 |
| ChEMBL | CHEMBL4073922 |
| ChEBI | CHEBI:232516 |
| EC No. | 808-437-6 |
Chemische & physikalische Eigenschaften
| XLogP | 7,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 48,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 46 |
| Formalladung | 0 |
| Komplexität | 1.020 |
| Siedepunkt | 737.8±60.0 °C(Predicted) |
| Dichte | 1.43±0.1 g/cm3(Predicted) |
| Lagerbedingungen | room temp |
| Löslichkeit | DMSO: soluble10mg/mL, clear |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 12.82±0.20(Predicted) |
| Farbe | white to beige |
| InChIKey | UIVOZBSCHXCGPS-UHFFFAOYSA-N |
| SMILES | FC(F)(F)c1cc(ccc1)c2nc3c(c(c2CN6CCC(CC6)N7CCCCC7)C(=O)NC5(CC5)c4ccccc4)ccc(c3)Br |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1 / PGIII |
| R-Sätze (R) | 25-36/37/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-45 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
GSK 2193874 is an orally active, potent and selective TRPV4 antagonist.