Grundinformationen
- CAS
27025-41-8- Standard-SMILES
N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O- InChIKey
YPZRWBKMTBYPTK-BJDJZHNGSA-N- Summenformel
- C20H32N6O12S2
- Durchschnittliche Molmasse
- 612,6 g/mol
- Monoisotopische Masse
- 612,15196246
Überblick
Glutathione disulfide is a glutathione derivative and an organic disulfide. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a glutathione disulfide(2-).
Namen und Bezeichner
- Bevorzugter Name
- Glutathione Disulfide
- IUPAC
- (2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- Lokaler Name
- Bi(glutathion-S-yl)
- Englischer Name
- L-Glutathione
- Summenformel
- C20H32N6O12S2
- Molmasse
- 612.63
Namen und Synonyme
glutathione disulfideGSSGGlutathione disulphideOxigluthioneGlutathone disulfideOxiglutationaOxiglutationumBis(gamma-glutamyl-L-cysteinylglycine) disulfideULW86O013HDisulfide, GlutathioneRefChem:570552-amino-4-((2-((2-(4-amino-4-carboxybutanamido)-2-((carboxymethyl)carbamoyl)ethyl)disulfanyl)-1-((carboxymethyl)carbamoyl)ethyl)carbamoyl)butanoic acid
Weitere Namen anzeigen
L-GLUTATHIONE OXIDIZEDL-GLUTATHIONE OXIDISEDoxidizedglutathioneoxidised glutathioneGSSCNOV-002Glutathiol
oxiglutatione27025-41-8Glutathione-ssgOxiglutatione [INN]Bi(glutathion-S-yl)Oxiglutationum [INN-Latin]Oxiglutationa [INN-Spanish]CCRIS 780
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -9,1
- Polarare Oberfläche (TPSA)
- 368 Ų
- H-Brücken-Donoren
- 10
- H-Brücken-Akzeptoren
- 16
- Frei drehbare Bindungen
- 21
- Schwere Atome
- 40
- Formalladung
- 0
- Komplexität
- 879
Experimentelle und physikochemische Eigenschaften
Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals -> Listed in ZINC15
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physical Description
Solid; [Merck Index] White powder; [Sigma-Aldrich MSDS]
Solid
Collision Cross Section
227 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]
224.7 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physikochemische Eigenschaften
- Schmelzpunkt
- 178 °C · 178 °C (dec.)(lit.)
- Dichte
- 1.3688 · 1.3688 (rough estimate)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 75% (6 of 8) of all reports.
Warning
H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationGlycine, L-.gamma.-glutamyl-L-cysteinyl-, bimol. (2â2')-disulfide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (25%)
Sicherheitsdaten
- wgk
- 2
- hs_code
- 29309090
- RTECS-Nr.
- MC0556500
- risk_code
- 36/37/38
- Toxizität
- mouse,LD50,intravenous,> 2gm/kg (2000mg/kg),Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 6793, 1989.
- hazard_code
- Xi
- safety_code
- 26-36-24/25-36/37/39-27-37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsBrain
Cellular LocationsExtracellular
Metabolite Pathways2-Hydroxyglutric Aciduria (D And L Form)
Verwendung und Herstellung
UsesA GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized. [ChemIDplus]
Anwendungen
BeschreibungL-Glutathione oxidized(GSSG) is produced by the oxidation of glutathione. Detoxification of reactive oxygen species is accompanied by production of it. It can be used for the research of sickle cells and erythrocytes. The ratio of glutathione (GSH) to oxidised glutathione (GSSG) is a key indicator of cellular oxidative stress. It can be used in the clinical diagnosis and treatment of leukaemia by detecting the level of cellular GSH/GSSG in acute myeloid leukaemia (AML), which is characterised by oxidative stress leading to abnormally low levels of oxidised glutathione, with real-time, dynamic and highly sensitive characteristics[1].
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