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Glutathione monoethyl ester

CAT: 0804-HY-W392413Size: 1 EachDry Ice: NoHazardous: No
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Description
Glutathione monoethyl ester is a glutathione derivative that can protect motor neuron cells NSC-34 from pathology damage caused by mutations in TDP-43, including reducing aggregation formation, nuclear clearance, reactive oxygen species generation, and cell death[1].
CAS Number
118421-50-4
UNSPSC
12352211
Hazard Statement
H315-H319-H335
Target
Reactive Oxygen Species (ROS)
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Smiles
OC(CNC([C@H](CS)NC(CC[C@H](N)C(O)=O)=O)=O)=O.CCO
Molecular Formula
C12H21N3O6S
Molecular Weight
335.38
Precautions
P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
References & Citations
[1]Tong Chen, et al. Glutathione monoethyl ester prevents TDP-43 pathology in motor neuronal NSC-34 cells. Neurochem Int. 2018 Jan:112:278-287.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Glutathione Ethyl Ester
CAS Number118421-50-4
PubChem CID147253
IUPAC Name(2S)-2-amino-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC12H21N3O6S
Molecular Weight335.38
XLogP-3.8
Topological Polar Surface Area149
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count22
Formal Charge0
Complexity418
SMILES
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C12H21N3O6S/c1-2-21-10(17)5-14-11(18)8(6-22)15-9(16)4-3-7(13)12(19)20/h7-8,22H,2-6,13H2,1H3,(H,14,18)(H,15,16)(H,19,20)/t7-,8-/m0/s1
InChIKey
JKRODHBGNBKZLE-YUMQZZPRSA-N
Chemical Structure
2D Structure
2D structure of Glutathione Ethyl Ester
CAS: 118421-50-4
CID: 147253
Formula: C12H21N3O6S
MW: 335.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.38
XLogP3-3.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass335.11510657
Monoisotopic Mass335.11510657
Topological Polar Surface Area149 Ų
Heavy Atom Count22
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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