Edonerpic

HCID 9901946

기본 정보

CAS: 519187-23-6
표준 SMILES: OC1CN(CCCOCCc2ccc3sccc3c2)C1
InChIKey: HQNACSFBDBYLJP-UHFFFAOYSA-N
분자식: C16H21NO2S
평균 분자량: 291.4 g/mol

개요

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

이름 및 식별자

우선 이름: Edonerpic
IUPAC: 1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol
영어명: 3-Azetidinol, 1-[3-(2-benzo[b]thien-5-ylethoxy)propyl]-
분자식: C16H21NO2S
분자량: 291.41

이름 및 동의어

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]-

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 60.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 7
무거운 원자 수: 20
형식 전하: 0
복잡도: 296

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점: 451.1 · 451.1±45.0 °C(Predicted)
밀도: 1.23 · 1.230±0.06 g/cm3(Predicted)
산도 계수 (pKa): 14.34 · 14.34±0.20(Predicted)

화학 및 산업

약리 정보

Mechanism of Action · 1건

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.