CAS 720690-73-3 Gsk-189254 (HCID 9798547)

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Grundinformationen

CAS: 720690-73-3
Standard-SMILES: CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1
InChIKey: WROHEWWOCPRMIA-UHFFFAOYSA-N
Summenformel: C21H25N3O2
Durchschnittliche Molmasse: 351,4 g/mol
Monoisotopische Masse: 351,19467705

Namen und Bezeichner

Bevorzugter Name: Gsk-189254
IUPAC: 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
Englischer Name: GSK 189254A
Summenformel: C21H25N3O2
Molmasse: 351.44

Namen und Synonyme

GSK189254GSK-189254GSK-189254 free baseGSK 1892546-((3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)oxy)-N-methylpyridine-3-carboxamide6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)oxy]-N-methylpyridine-3-carboxamideRefChem:922531720690-73-3GSK189254AGSK 189254A6-((3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy)-N-methyl-3-pyridinecarboxamideGSK-189254A

Weitere Namen anzeigen

CS-2905GSK189254A, 10 mM in DMSOhistamine H3 receptor antagonist GS189254AHistamine Receptor,GSK-189254,GSK 189254,GSK-189254A,inhibit,GSK189254A,Inhibitor6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yloxy)-N-MethylnicotinaMideN-(4-METHOXYBENZYL)-1-[(4-METHYLPHENYL)SULFONYL]-1H-PYRROLO[2,3-B]PYRIDIN-4-AMINE3-Pyridinecarboxamide, 6-[(3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methyl-

6-((3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)oxy)-N-methylnicotinamideMFCD169876356-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide5T4TX6CO53CHEMBL5171406-[(3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamideUNII-5T4TX6CO536-[(3-Cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)oxy]-N-methylnicotinamide

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,2
Polarare Oberfläche (TPSA): 54,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 26
Formalladung: 0
Komplexität: 482

Physikochemische Eigenschaften

Siedepunkt: 545 · 545.0±50.0 °C(Predicted)
Dichte: 1.195 · 1.195±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
Löslichkeit: 25 · DMSO:25.0(Max Conc. mg/mL);71.13(Max Conc. mM)
Aggregatzustand: A solid
pka: 14.26 · 14.26±0.46(Predicted)
Farbe: White to off-white

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.