Edonerpic

HCID 9901946

基本情報

CAS: 519187-23-6
標準SMILES: OC1CN(CCCOCCc2ccc3sccc3c2)C1
InChIKey: HQNACSFBDBYLJP-UHFFFAOYSA-N
分子式: C16H21NO2S
平均分子量: 291.4 g/mol

概要

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

名称と識別子

優先名称: Edonerpic
IUPAC: 1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol
英語名: 3-Azetidinol, 1-[3-(2-benzo[b]thien-5-ylethoxy)propyl]-
分子式: C16H21NO2S
分子量: 291.41

名称と別名

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]-

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.6
極性表面積: 60.9 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 7
重原子数: 20
形式電荷: 0
複雑度: 296

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

物理化学的性質

沸点: 451.1 · 451.1±45.0 °C(Predicted)
比重(密度): 1.23 · 1.230±0.06 g/cm3(Predicted)
酸解離定数(Pka): 14.34 · 14.34±0.20(Predicted)

化学と産業

薬理情報

Mechanism of Action · 1 件

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.