Jte-907
JTE 907 · JTE907 (JTE-907 · JTE-907, 10 mM in DMSO · N-(benzo[d][1,3]dioxol-5-ylMethyl)-7-Methoxy-2-oxo-8-(pentyl · N-(Benzo[d][1,3]dioxol-5-ylmethyl)-2-hydroxy-7-methoxy-8-(pentyloxy)quinoline-3-carboxamide · N-(1,3-BENZODIOXOL-5-YLMETHYL)-1,2-DIHYDRO-7-METHOXY-2-OXO-8-(PENTYLOXY)-3-QUINOLINECARBOXAMIDE · 3-QuinolinecarboxaMide,N-(1,3-benzodioxol-5-ylMethyl)-1,2-dihydro-7-Methoxy-2-oxo-8-(pentyloxy)- · N-(benzo[d][1,3]dioxol-5-ylmethyl)-7-methoxy-2-oxo-8-(pentyloxy)-1,2-dihydroquinoline-3-carboxamide
Identifikatoren & physikalische Daten
| CAS No. | 282089-49-0 |
|---|---|
| Summenformel | C24H26N2O6 |
| Durchschnittliche Molmasse | 438,5 g/mol |
| Monoisotopische Masse | 438,17908655 g/mol |
| SMILES | CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c12 |
| InChIKey | GRAJFFFXJYFVOC-UHFFFAOYSA-N |
| PubChem CID | 9867770 |
| ChEMBL | CHEMBL178372 |
| ChEBI | CHEBI:93098 |
| EC No. | 683-684-9 |
| DTXSID | DTXSID001010010 |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,1 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 32 |
| Formalladung | 0 |
| Komplexität | 698 |
| Siedepunkt | 704.2±60.0 °C(Predicted) |
| Dichte | 1.267±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO: ≥10mg/mL |
| pKa (Säurekonstante) | 9.49±0.70(Predicted) |
| Aggregatzustand | Powder |
| Farbe | white to off-white |
| InChIKey | GRAJFFFXJYFVOC-UHFFFAOYSA-N |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | VB1150900 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Beschreibung
JTE-907 is a selective peripheral cannabinoid (CB2) receptor agonist with Kd values of 25 and 2,370, 1.55 and 1,060, and 0.38 and 1,050 nM for human, mouse, and rat CB2 and CB1 receptors, respectively. It increases forskolin-stimulated cAMP production in CHO cells expressing human and mouse CB2 in a dose-dependent manner. In vivo, JTE-907 inhibits carrageenin-induced edema in mouse paws with an ED50 value of 0.05 mg/kg. JTE-907 also inhibits spontaneous scratching in a mouse model of chronic dermatitis at doses of 1 and 10 mg/kg.
Verwenden
Potent and selective ligands for cannabinoid type 2 receptors (CB2Rs) may have therapeutic potential for treating CB2Rs related inflammatory diseases (1). JTE 907 is a selective cannabinoid CB2 receptor inverse agonist with anti-inflammatory properties (2,3). Synthetic cannabinoids