2,2'-Dithiobis(ethylamin)

Cystamine

HCID 2915CAS 51-85-4

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Grundinformationen

Standard-SMILES: NCCSSCCN
InChIKey: APQPRKLAWCIJEK-UHFFFAOYSA-N
Summenformel: C4H12N2S2
Durchschnittliche Molmasse: 152,3 g/mol
Monoisotopische Masse: 152,04419038

Überblick

Cystamine is an organic disulfide obtgained by oxidative dimerisation of cysteamine. It has a role as an EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor. It is an organic disulfide and a primary amino compound. It is functionally related to a cysteamine.

Namen und Bezeichner

Bevorzugter Name: Cystamine
IUPAC: 2-(2-aminoethyldisulfanyl)ethanamine
Lokaler Name: 2,2'-Dithiobis(ethylamin)
Englischer Name: 2,2'-dithiobis(ethylamine)
Summenformel: C4H12N2S2
Molmasse: 152.28

Namen und Synonyme

cystamine51-85-4Decarboxycystine2,2'-Dithiobis(ethylamine)CystineamineCystinaminMercamine disulfideCysteinamine disulfideEthanamine, 2,2'-dithiobis-Becaptan disulfureBis(beta-aminoethyl)disulfide2,2'-Dithiobisethanamine

Weitere Namen anzeigen

2,2'-disulfanediyldiethanamineL-1591Cystinamine2,2'-Dithiodiethylamine2,2-DIAMINODIETHYLDISULPHIDE

beta-Mercaptoethylamine disulfidebeta,beta'-Diaminodiethyl disulfide1591 LR110LV8L02CHEBI:78757DTXSID601990052-(2-aminoethyldisulfanyl)ethylamine2,2'-Dithiobis[ethylamine]

Datenbank-Bezeichner

CAS: 51-85-4
PubChem CID: 2915
DTXSID: DTXSID60199005
ChEMBL: CHEMBL61350
ChEBI: CHEBI:78757
UNII: R110LV8L02
EC Number: 200-129-4
Nikkaji: J4.128I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1
Polarare Oberfläche (TPSA): 103 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 8
Formalladung: 0
Komplexität: 37

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Sulfur Compounds

Physical DescriptionViscous liquid; [Merck Index]

Physikochemische Eigenschaften

Schmelzpunkt: 135 · 135-136 °C
Siedepunkt: 106 · 106-108 °C(Press: 5 Torr)
Dichte: 1.09 · 1.090 (estimate)
Brechungsindex: 1.5605 · 1.5605 (estimate)
storage temp.: -20 °C · Storage temp. -20°C
Löslichkeit: Soluble in Water, DMSO, DMF, Methanol
Aggregatzustand: Liquid
pka: 8.97 · 8.97±0.10(Predicted)
Farbe: Light yellow to brown

Sicherheit und Regulatorisches

Gefahrenhinweise

Hazards SummaryCauses general anesthesia, elevated blood pressure, convulsions, and lung changes in subcutaneous lethal-dose studies of mammals; [RTECS] See Cystamine dihydrochloride.

Toxikologische Informationen

Adverse EffectsNeurotoxin - Other CNS neurotoxin

Sicherheitsdaten

Alarmwort: Achtung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 3 Einträge

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.

Chemical agents that react with SH groups. This is a chemically diverse group that is used for a variety of purposes. Among these are enzyme inhibition, enzyme reactivation or protection, and labelling.