biphenyl-indanone A
BINA · CS-203 · MRLSD 230 · BINA, >=98% · Biphenylindanone A · 4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid · 3'-[[(2-Cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]methyl]biphenyl-4-carboxylic acid · 3'-[[(2-Cyclopentyl-2,3-dihydro-6,7-dimethyl-1-oxo-1H-inden-5-yl)oxy]methyl]-[1,1'-biphenyl]-4-carboxylicacid
Identifikatoren & physikalische Daten
| CAS No. | 866823-73-6 |
|---|---|
| Summenformel | C30H30O4 |
| Durchschnittliche Molmasse | 454,6 g/mol |
| Monoisotopische Masse | 454,21440943 g/mol |
| SMILES | Cc1c(OCc2cccc(-c3ccc(C(=O)O)cc3)c2)cc2c(c1C)C(=O)C(C1CCCC1)C2 |
| InChIKey | KMKBEESNZAPKMP-UHFFFAOYSA-N |
| PubChem CID | 9868580 |
| ChEMBL | CHEMBL593013 |
| ChEBI | CHEBI:183905 |
| DTXSID | DTXSID90432098 |
Chemische & physikalische Eigenschaften
| XLogP | 7,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 34 |
| Formalladung | 0 |
| Komplexität | 719 |
| Schmelzpunkt | 238-241℃ |
| Siedepunkt | 676.9±55.0 °C(Predicted) |
| Dichte | 1.220 |
| Lagerbedingungen | Desiccate at RT |
| Löslichkeit | DMSO: ≥18mg/mL |
| pKa (Säurekonstante) | 4.17±0.10(Predicted) |
| Aggregatzustand | powder |
| Farbe | white to tan |
| InChIKey | KMKBEESNZAPKMP-UHFFFAOYSA-N |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
The metabotropic glutamate receptor 2 (mGluR2) is a Gi/o-coupled receptor which is expressed on presynaptic nerve terminals and modulates the release of neurotransmitters like glutamate and GABA. Biphenylindanone A (BINA) is a positive allosteric modulator of mGluR2, stimulating the human and rat receptors with EC50 values of 33.2 and 96 nM, respectively. It has no effect on glutamate-induced activation of other mGluR types. BINA can be used on cells, tissues, or animals. Because of its selectivity for mGluR2, robust in vivo activity, and brain penetrance, BINA can be used to elucidate the role of mGluR2 in such diverse processes as psychosis, schizophrenia, and drug addiction.
Verwenden
Biphenylindanone A is an orally active metabotropic glutamate subtype 2 receptor positive allosteric modulator.