Darigabat
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Grundinformationen
- CAS
1614245-70-3- Standard-SMILES
CCn1cnc2c(-c3ccc(F)c(-c4ccc(S(=O)(=O)CC)cc4OC)c3)cnnc21- InChIKey
PTTQXDBPTFOCMT-UHFFFAOYSA-N- Summenformel
- C22H21FN4O3S
- Durchschnittliche Molmasse
- 440,5 g/mol
- Monoisotopische Masse
- 440,13183975
Überblick
Darigabat is under investigation in clinical trial NCT05941442 (A Study to Evaluate Efficacy, Safety, and Tolerability of Darigabat in Participants With Panic Disorder).
Namen und Bezeichner
- Bevorzugter Name
- Darigabat
- IUPAC
- 7-ethyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
- Englischer Name
- PF-06372865
- Summenformel
- C22H21FN4O3S
- Molmasse
- 440.49
Namen und Synonyme
DarigabatPF-063728651614245-70-3CVL-865O9BP19HZ3Q7H-Imidazo(4,5-C)pyridazine, 7-ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'-methoxy(1,1'-biphenyl)-3-yl)-RefChem:130962Darigabat [INN]Darigabat [USAN]Darigabat [USAN:INN]UNII-O9BP19HZ3QDarigabat (USAN)
Weitere Namen anzeigen
PF06372865,PF 06372865Darigabat, 10 mM in DMSOCVL-865|||PF-6372865|||PF-063728657H-Imidazo[4,5-c]pyridazine, 7-ethyl-4-[4'-(ethylsulfonyl)-6-fluoro-2'-methoxy[1,1'-biphenyl]-3-yl]-7-Ethyl-4-[4′-(ethylsulfonyl)-6-fluoro-2′-methoxy[1,1′-biphenyl]-3-yl]-7H-imidazo[4,5-c]pyridazine (ACI)
WHO 114987-ethyl-4-[3-(4-ethylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]imidazo[4,5-c]pyridazinePF 063728657-Ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'-methoxybiphenyl-3-yl)-7H-imidazo[4,5-c]pyridazine7-Ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'-methoxy-[1,1'-biphenyl]-3-yl)-7H-imidazo[4,5-c]pyridazine7-Ethyl-4-[4'-(ethylsulfonyl)-6-fluoro-2'-methoxy[1,1'-biphenyl]-3-yl]-7H-imidazo[4,5-c]pyridazine; 7-ethyl-4-(4'-(ethylsulfonyl)-6-fluoro-2'methoxybiphenyl-3-yl)-7H-imidazo[4,5-c]pyridazine; Darigabat7-Ethyl-4-[4'-(ethylsulfonyl)-6-fluoro-2'-methoxybiphenyl-3-yl]-7H-imidazo[4,5-c]pyridazineC22H21FN4O3S
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,9
- Polarare Oberfläche (TPSA)
- 95,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 31
- Formalladung
- 0
- Komplexität
- 705
Physikochemische Eigenschaften
- Schmelzpunkt
- 184 · 184 - 186°C
- Siedepunkt
- 577.2 · 577.2±60.0 °C(Predicted)
- Dichte
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- Löslichkeit
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Heated)
- Aggregatzustand
- Solid
- pka
- -0.55 · -0.55±0.30(Predicted)
- Farbe
- White to Light Beige
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances that do not act as agonists or antagonists but do affect the GAMMA-AMINOBUTYRIC ACID receptor-ionophore complex. GABA-A receptors (RECEPTORS, GABA-A) appear to have at least three allosteric sites at which modulators act: a site at which BENZODIAZEPINES act by increasing the opening frequency of GAMMA-AMINOBUTYRIC ACID-activated chloride channels; a site at which BARBITURATES act to prolong the duration of channel opening; and a site at which some steroids may act. GENERAL ANESTHETICS probably act at least partly by potentiating GABAergic responses, but they are not included here.
Anwendungen
VerwendenPF 06372865 are used as GABAA receptor modulators to treat pain.
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