2-Phenyl-4-(2-(4-piperidinyl)ethyl)quinoline
Grundinformationen
- CAS
77472-98-1- Standard-SMILES
c1ccc(-c2cc(CCC3CCNCC3)c3ccccc3n2)cc1- InChIKey
AMEWZCMTSIONOX-UHFFFAOYSA-N- Summenformel
- C22H24N2
- Durchschnittliche Molmasse
- 316,4 g/mol
- Monoisotopische Masse
- 316,19394877
Überblick
Pipequaline is an anticonflict & anticonvulsant quinoline derivative. It is an anxiolytic drug that was never marketed. It presents a unique chemical structure that does not follow the structural properties of other drugs of its class. Pipequaline has a similar pharmacological profile to the reported for the benzodiazepines. However, it presents a significant set of anxiolytic properties with a very little sedative, amnestic or anticonvulsant effect. Due to these differences, this drug is classified as a nonbenzodiazepine anxiolytic.
Namen und Bezeichner
- Bevorzugter Name
- 2-Phenyl-4-(2-(4-piperidinyl)ethyl)quinoline
- IUPAC
- 2-phenyl-4-(2-piperidin-4-ylethyl)quinoline
- Englischer Name
- Pipequaline
- Summenformel
- C22H24N2
- Molmasse
- 316.44
Namen und Synonyme
Pipequaline77472-98-1PK-81652-Phenyl-4-[2-(4-Piperidinyl)Ethyl]QuinolinePipequalinum2-Phenyl-4-(2-(piperidin-4-yl)ethyl)quinolinepipecualina2-phenyl-4-[2-(piperidin-4-yl)ethyl]quinolineJ3S205V4I2DTXSID20228183Quinoline, 2-phenyl-4-(2-(4-piperidinyl)ethyl)-2-phenyl-4-(2-(4-piperidinyl)ethyl)quinoline
Weitere Namen anzeigen
45319RPRP-45319CAS_77472-98-1pipequaline PK-8165PK8165PK 8165pipequaline HCI(PK-8165)pipequaline.HCl(for free base)
Quinoline, 2-phenyl-4-[2-(4-piperidinyl)ethyl]-RefChem:174384DTXCID40150674Pipequaline [INN]2-phenyl-4-(2-piperidin-4-ylethyl)quinolineMFCD008669832-Phenyl-4-(2-(4-piperidyl)ethyl)quinolinePipequalinum [Latin]
Datenbank-Bezeichner
- CAS
77472-98-1- PubChem CID
- 71219
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5
- Polarare Oberfläche (TPSA)
- 24,9 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 370
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Siedepunkt
- 489.2 · 489.2±30.0 °C(Predicted)
- Dichte
- 1.078 · 1.078±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 20 mg/ml; DMSO:PBS (pH 7.2)(1:5): 0.16 mg/ml
- Aggregatzustand
- A crystalline solid
- pka
- 10.6 · 10.60±0.10(Predicted)
- Farbe
- White to off-white
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationDrugs used to prevent SEIZURES or reduce their severity.
Anwendungen
BeschreibungPipequaline is a partial agonist of central benzodiazepine receptors (Ki = 78 nM in a radioligand binding assay). In mice, pipequaline enhances the effects of diazepam , further reducing foot shock-induced fighting behavior and the number of maximal electroshock-induced seizures and potentiating the muscle relaxant and hypnotic effects. Pipequaline also increases drinking in the Vogel punished drinking task indicating anxiolytic-like activity that can be reversed by the benzodiazepine receptor antagonist flumazenil .
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