Basic information
- CAS
6803-19-6- Standard SMILES
NC(CCC(=O)NC(CSCc1ccc([N+](=O)[O-])cc1)C(=O)NCC(=O)O)C(=O)O- InChIKey
OAWORKDPTSAMBZ-UHFFFAOYSA-N- Molecular formula
- C17H22N4O8S
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 442.11583485
Names & identifiers
- Preferred name
- S-(4-nitrobenzyl)-glutathione
- IUPAC
- 2-amino-5-[[1-(carboxymethylamino)-3-[(4-nitrophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- English name
- S-(p-Nitrobenzyl)glutathione
- Molecular formula
- C17H22N4O8S
- Molecular weight
- 442.44
Names & synonyms
NSC131122S-(4-nitrobenzyl)-glutathioneSCHEMBL2089784DTXSID00987463NSC-131122DB-055101NS001158915-[(1-[(Carboxymethyl)imino]-1-hydroxy-3-{[(4-nitrophenyl)methyl]sulfanyl}propan-2-yl)imino]-5-hydroxynorvalines-(4-nitrobenzyl)glutathioneS-(p-Nitrobenzyl)glutathioneGlycine, L-γ-glutamyl-S-[(4-nitrophenyl)methyl]-L-cysteinyl-(2R)-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-5-amino-5-oxopentanoic acid
Database identifiers
- CAS
6803-19-6- PubChem CID
- 5133
- DTXSID
DTXSID00987463
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 230 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 634
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Pharmacology
Metabolism/MetabolitesS-(4-Nitrobenzyl)glutathione is a known human metabolite of 4-nitrobenzyl chloride.
Applications
UsesS-(p-Nitrobenzyl)glutathione is a competitive glutathionase inhibitor. S-(p-Nitrobenzyl)glutathione is converted to the corresponding cysteine derivatives by rat kidney microsomes. S-(p-Nitrobenzyl)glutathione can be used for the research of metabolic breakdown of glutathione by the glutathionase system[1][2].
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: A glutathione derivative in which the thiol hydrogen of glutathione is replaced by a 4-nitrobenzyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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