Basic information
- CAS
519187-23-6- Standard SMILES
OC1CN(CCCOCCc2ccc3sccc3c2)C1- InChIKey
HQNACSFBDBYLJP-UHFFFAOYSA-N- Molecular formula
- C16H21NO2S
- Average molar mass
- 291.4 g/mol
Overview
Edonerpic is a neurotrophic agent intended for the treatment of Alzheimer's disease which is under phase I clinical trial.
Names & identifiers
- Preferred name
- Edonerpic
- IUPAC
- 1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-ol
- English name
- 3-Azetidinol, 1-[3-(2-benzo[b]thien-5-ylethoxy)propyl]-
- Molecular formula
- C16H21NO2S
- Molecular weight
- 291.41
Names & synonyms
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]-
Show more names
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
Database identifiers
- CAS
519187-23-6- PubChem CID
- 9901946
- ChEMBL
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 451.1 · 451.1±45.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- 14.34 · 14.34±0.20(Predicted)
- FDA UNII
- 49 O94S2W · QY49O94S2W
Chemistry & industry
Pharmacology
Mechanism of Action
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.
Suppliers6 total
上海冬洋生物科技有限公司0512-13601744364 13601744364
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海超岚化工科技中心QQ：65489617 13301690235 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
Related reactions
30 records
Compound notes
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