Gea 857
Basic information
- CAS
120493-42-7- Standard SMILES
CC(C)[C@H](N)C(=O)OC(C)(C)Cc1ccc(Cl)cc1- InChIKey
YKRSWMGPYKJOBF-ZDUSSCGKSA-N- Molecular formula
- C15H22ClNO2
- Average molar mass
- 283.79 g/mol
- Monoisotopic mass
- 283.1339066
Overview
structure given in first source
Names & identifiers
- Preferred name
- Gea 857
- IUPAC
- [1-(4-chlorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-3-methylbutanoate
- English name
- GEA 857
- Molecular formula
- C15H22ClNO2
- Molecular weight
- 283.79
Names & synonyms
120493-42-7Gea 857Gea-857GEA857Valine, 2-(4-chlorophenyl)-1,1-dimethylethyl esterL-Valine, 2-(4-chlorophenyl)-1,1-dimethylethyl esterRefChem:142810[1-(4-chlorophenyl)-2-methylpropan-2-yl] (2S)-2-amino-3-methylbutanoateSCHEMBL1955221-(4-chlorophenyl)-2-methylpropan-2-yl L-valinateorb1702242DTXSID80923440
Show more names
AKOS040746851HY-117223T254461-(4-Chlorophenyl)-2-methylpropan-2-yl valinate
Database identifiers
- CAS
120493-42-7- PubChem CID
- 129177
- DTXSID
DTXSID80923440
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 297
Chemistry & industry
Applications
DescriptionGea 857 is a putative blocker of potassium conductance.
UsesGEA 857 is a structural analog of the Serotonin (HY-B1473A) uptake blocker Alaproclate (HY-164011). GEA 857 enhances responses induced by muscarinic receptor agonists by inhibiting certain calcium-dependent potassium channels on membranes, a blockade that can enhance or prolong the muscarinic cholinergic effects. GEA 857 can be used in research on neurodegenerative diseases[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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