Indiplon
CS-779 · INDIPLON · Nbi 34060 · CL 285,489) · Unii-8bt63da42e · Indiplon (NBI 34060 · AcetaMide,N-Methyl-N-[3-[3-(2-thienylcarbonyl)pyrazolo[1,5-a]pyr · N-Methyl-N-[3-[3-[2-thienylcarbonyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
Identifikatoren & physikalische Daten
| CAS No. | 325715-02-4 |
|---|---|
| Summenformel | C20H16N4O2S |
| Durchschnittliche Molmasse | 376,4 g/mol |
| Monoisotopische Masse | 376,09939694 g/mol |
| SMILES | CC(=O)N(C)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 |
| InChIKey | CBIAWPMZSFFRGN-UHFFFAOYSA-N |
| PubChem CID | 6450813 |
| ChEMBL | CHEMBL262075 |
| ChEBI | CHEBI:188583 |
| EC No. | 608-755-3 |
| DTXSID | DTXSID80186270 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 95,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 574 |
| Schmelzpunkt | >192oC (dec.) |
| Dichte | 1.35±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Store at +4°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly, Heated) |
| pKa (Säurekonstante) | -1.42±0.50(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Light Yellow to Dark Yellow |
| InChI | 1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3 |
| InChIKey | CBIAWPMZSFFRGN-UHFFFAOYSA-N |
| SMILES | [s]1c(ccc1)C(=O)c2c3[n](nc2)C(=CC=N3)c4cc(ccc4)N(C)C(=O)C |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Indiplon is a pyrazolopyrimidine that acts as a high-affinity positive allosteric modulator of the GABAA receptor, potentiating GABA-activated chloride currents in a dose-dependent and reversible manner. Indiplon is selective for α1 subunits (EC50 = 2.6 nM) as compared with α2, α3, or α5 (EC50 = 24, 60, and 77 nM). Through this action, indiplon has sedative and hypnotic effects that can improve sleep onset, maintenance, and duration.
Verwenden
Indiplon is a member of pyrimidines with sedative, hypnotic. Indiplon has been used in trials studying the treatment of Insomnia and Depression.