Pagoclone

HCID 131664CAS 133737-32-3

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Grundinformationen

Standard-SMILES: CC(C)CCC(=O)CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1
InChIKey: HIUPRQPBWVEQJJ-UHFFFAOYSA-N
Summenformel: C23H22ClN3O2
Durchschnittliche Molmasse: 407,9 g/mol
Monoisotopische Masse: 407,1400546

Namen und Bezeichner

Bevorzugter Name: Pagoclone
IUPAC: 2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-3H-isoindol-1-one
Englischer Name: Pagoclone
Summenformel: C23H22ClN3O2
Molmasse: 407.89

Namen und Synonyme

Pagoclone133737-32-3IP 456PagoclonaRP 62955RP-62955IP-456CI-10432-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)-2,3-dihydro-1H-isoindol-1-one38VAG2SA33DTXSID40869830IP456

Weitere Namen anzeigen

Pagoclone Labeled d42-(7-Chloro-2-naphthyridin-1,8-yl)-3-(5-methyl-2-oxohexyl)isoindolin-1-one2-(7-chloro-1,8-naphthyridine-2-yl)-3-(5-methyl-2-oxo-hexyl)-1-isoindolinone1H-Isoindol-1-one, 2-(7-chloro-1,8-naphthyridin-2-yl)-2,3-dihydro-3-(5-methyl-2-oxohexyl)-

RP62955pagoclonumRefChem:858293DTXCID908177402-(7-chloro-1.8-naphthyridin-2-yl)-2,3-dihydro-3-(5-methyl-2-oxohexyl)-1H-isoindol-1-one133737-48-1rac-Pagoclone2-(7-chloro-1,8-naphthyridin-2-yl)-3-(5-methyl-2-oxohexyl)isoindolin-1-one

Datenbank-Bezeichner

CAS: 133737-32-3、133737-48-1
PubChem CID: 131664
DTXSID: DTXSID40869830
ChEMBL: CHEMBL2104745
Nikkaji: J481.630G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,6
Polarare Oberfläche (TPSA): 63,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 6
Schwere Atome: 29
Formalladung: 0
Komplexität: 613

Physikochemische Eigenschaften

Schmelzpunkt: 173 · 173-179°C
storage temp.: -20 °C · -20°C Freezer
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Pale Orange to Pale Red

Chemie und Industrie

Pharmakologische Informationen

Pharmacodynamics · 1 Eintrag

Pagoclone was originally developed as an anti-anxiety drug, but never commercialised. It is a partial agonist acting at GABAA receptors in the brain. In contrast to zopiclone, pagoclone produces anxiolytic effects with little or no sedative or amnestic actions at low doses.

Mechanism of Action · 1 Eintrag

Pagoclone is a subtype-selective drug which binds primarily to the alpha2/alpha3 subtypes of the GABAA receptor which are responsible for the anti-anxiety effects of these kind of drugs, but has relatively little efficacy at the alpha1 subtype which produces the sedative and memory loss effects.