N-(4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-carboxamide
Grundinformationen
- CAS
148672-13-3- Standard-SMILES
COc1ccc(NC(=O)c2ccc(-c3ccc(-c4noc(C)n4)cc3C)cc2)cc1N1CCN(C)CC1- InChIKey
YDBCEBYHYKAFRX-UHFFFAOYSA-N- Summenformel
- C29H31N5O3
- Durchschnittliche Molmasse
- 497,6 g/mol
- Monoisotopische Masse
- 497,24268987
Überblick
GR 127935 is a member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid and the anilino group of 4-methoxy-3-(4-methylpiperazin-1-yl)aniline. Potent and selective 5-HT1B/1D receptor antagonist (pKi values are 8.5 for both guinea pig 5-HT1D and rat 5-HT1B receptors). Displays > 100-fold selectivity over 5HT1A, 5-HT2A, 5-HT2C receptors and other receptor types. Centrally active following oral administration. It has a role as a serotonergic antagonist. It is a member of benzamides, a 1,2,4-oxadiazole, a N-alkylpiperazine and a N-arylpiperazine. It is a conjugate base of a GR 127935(1+).
Namen und Bezeichner
- Bevorzugter Name
- N-(4-Methoxy-3-(4-methyl-1-piperazinyl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-carboxamide
- IUPAC
- N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
- Englischer Name
- N-[4-Methoxy-3-(4-methylpiperazin-1-yl)-phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
- Summenformel
- C29H31N5O3
- Molmasse
- 497.59
Namen und Synonyme
148672-13-3GR-127935GR 127935GR127935N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide2LLH6CEB40CHEBI:64114DTXSID90164044N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamideN-(4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)-2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxamideN-(4-methoxy-3-(4-methylpiperazin-1-yl)phenyl)-4-(2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)benzamideRefChem:926877
Weitere Namen anzeigen
GR 127935 HYDROCHLORIDE HYDRATECS-2903GR127935HClGR 127935 HYDROCHLORIDEN-[4-Methoxy-3-(4-methylpiperazin-1-yl)-phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenN-[4-Methoxy-3-(4-methylpiperazin-1-yl)-phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 83,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 739
Physikochemische Eigenschaften
- Dichte
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- 2 O: · H2O: 14 mg/mL, soluble
- Aggregatzustand
- solid
- pka
- 12.55 · 12.55±0.70(Predicted)
- Farbe
- 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
- wgk
- 3
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationDrugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.
Anwendungen
VerwendenGR 127935 Hydrochloride Hydrate is a 5-HT1B/1D antagonist used in the treatment of depression and anxiety affecting serotonin levels.
Anbieter37 Anbieter
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