Fexaramine
CS-1691 · Depasan · Actospar · Fexaramine · Fexaramine, 10 mM in DMSO · 3-[3-[(Cyclohexylcarbonyl)-[[4'-(dimethylamino)-[1,1'-biphenyl]-4-yl]methyl]amino]phenyl]-2-pr · (E)-methyl 3-(3-(N-((4'-(dimethylamino)biphenyl-4-yl)methyl)cyclohexanecarboxamido)phenyl)acrylate · (E)-methyl 3-(3-(N-((4'-(dimethylamino)-[1,1'-biphenyl]-4-yl)methyl)cyclohexanecarboxamido)phenyl)acrylate
Identifikatoren & physikalische Daten
| CAS No. | 574013-66-4 |
|---|---|
| Summenformel | C32H36N2O3 |
| Durchschnittliche Molmasse | 496,651 g/mol |
| Monoisotopische Masse | 496,27259301 g/mol |
| SMILES | COC(=O)/C=C/c1cccc(N(Cc2ccc(-c3ccc(N(C)C)cc3)cc2)C(=O)C2CCCCC2)c1 |
| InChIKey | VLQTUNDJHLEFEQ-KGENOOAVSA-N |
| PubChem CID | 5326713 |
| ChEMBL | CHEMBL192966 |
| ChEBI | CHEBI:80003 |
| EC No. | 110-160-4 |
| DTXSID | DTXSID80870369 |
Chemische & physikalische Eigenschaften
| Siedepunkt | 677.7±55.0 °C(Predicted) |
|---|---|
| Dichte | 1.158±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | DMSO : 50 mg/mL (100.68 mMNeed ultrasonic) |
| Aggregatzustand | powder |
| pKa (Säurekonstante) | 4.95±0.24(Predicted) |
| Farbe | white to beige |
| InChIKey | VLQTUNDJHLEFEQ-KGENOOAVSA-N |
| SMILES | C(OC)(=O)/C=C/C1=CC=CC(N(C(C2CCCCC2)=O)CC2=CC=C(C3=CC=C(N(C)C)C=C3)C=C2)=C1 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 4 |
Anwendungen & Verwendung
Beschreibung
The farnesoid X receptor (FXR) is a nuclear receptor that acts as a bile acid sensor, protecting cells and organs against bile acid toxicity and coordinating cholesterol metabolism, lipid homeostasis, and absorption of dietary fats and vitamins. Fexaramine is an FXR agonist (EC50 = 25 nM) that demonstrates 100-fold increased affinity to FXR compared to endogenous bile acids and 3-fold increased potency compared to the high affinity FXR agonist GW 4064 (; EC50 = 80 nM). Fexaramine does not display activity at the following nuclear receptors: hRXRα, hPPARαγδ, mPXR, hPXR, hLXRα, hTRβ, hRARβ, mCAR, mERRγ, or hVDR.
Verwenden
Fexaramine has been used to study its action on RANKL (receptor activator of nuclear factor-κB ligand)-induced osteoclastogenesis in mouse model.