Edonerpic

HCID 9901946CAS 519187-23-6

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Grundinformationen

Standard-SMILES: OC1CN(CCCOCCc2ccc3sccc3c2)C1
InChIKey: HQNACSFBDBYLJP-UHFFFAOYSA-N
Summenformel: C16H21NO2S
Durchschnittliche Molmasse: 291,4 g/mol

Überblick

Edonerpic is a neurotrophic agent intended for the treatment of Alzheimer's disease which is under phase I clinical trial.

Namen und Bezeichner

Bevorzugter Name: Edonerpic
IUPAC: 1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol
Englischer Name: 3-Azetidinol, 1-[3-(2-benzo[b]thien-5-ylethoxy)propyl]-
Summenformel: C16H21NO2S
Molmasse: 291.41

Namen und Synonyme

Edonerpic519187-23-61-(3-(2-(Benzo[b]thiophen-5-yl)ethoxy)propyl)azetidin-3-olT-817Edonerpic [INN]Edonerpic [WHO-DD]QY49O94S2WUNII-QY49O94S2W1-{3-[2-(1-benzothiophen-5-yl)ethoxy]propyl}azetidin-3-ol1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol3-Azetidinol, 1-(3-(2-benzo(b)thien-5-ylethoxy)propyl)-3-Azetidinol, 1-[3-(2-benzo[b]thien-5-ylethoxy)propyl]-

Weitere Namen anzeigen

T817Edenorpic free base1-(3-(2-(1-benzothiophene-5-yl)ethoxy)propyl)-3-azetidinol

1-(3-(2-(Benzo(b)thiophen-5-yl)ethoxy)propyl)azetidin-3-oledonerpicoedonerpicum1-(3-(2-(1-benzothiophen-5-yl)ethoxy)propyl)azetidin-3-olRefChem:136297J2.972.359AMFCD28502068edonerpic-maleate

Datenbank-Bezeichner

CAS: 519187-23-6
PubChem CID: 9901946
ChEMBL: CHEMBL4302089
UNII: QY49O94S2W
Nikkaji: J2.972.359A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 60,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 7
Schwere Atome: 20
Formalladung: 0
Komplexität: 296

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Siedepunkt: 451.1 · 451.1±45.0 °C(Predicted)
Dichte: 1.23 · 1.230±0.06 g/cm3(Predicted)
pka: 14.34 · 14.34±0.20(Predicted)

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

T-817MA has neuroprotective properties. Toyama Chemical has demonstrated that T-817MA prevents neurodegeneration induced by Amyloid-b protein. Accumulation of Amyloid-b protein is considered to be central to the pathogenesis of Alzheimer's disease. The neuroprotective properties of T-817MA were also observed in a mutant tau induced Alzheimer's disease model. Besides these neuroprotective properties, T-817MA also promotes neurite outgrowth.