HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-((Aminoiminomethyl)amino)ethanesulfonic acid
TAUROCYAMINE · SKL456 · NSC 667063 · Taurocyamin · Amidinotaurine · N-Guanyltaurine · N-Amidinotaurine · taurocyamine zwitterion
Identifikatoren & physikalische Daten
| CAS No. | 543-18-0 |
|---|---|
| Summenformel | C3H9N3O3S |
| Durchschnittliche Molmasse | 167,19 g/mol |
| Monoisotopische Masse | 167,03646233 g/mol |
| SMILES | NC(N)=NCCS(=O)(=O)O |
| InChIKey | JKLRIMRKZBSSED-UHFFFAOYSA-N |
| PubChem CID | 68340 |
| ChEMBL | CHEMBL21832 |
| ChEBI | CHEBI:17228 |
| DTXSID | DTXSID10202654 |
Chemische & physikalische Eigenschaften
| XLogP | -2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 127 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 210 |
| Löslichkeit | 39 mg/mL at 21 °CDMSO (Very Slightly, Heated), Methanol (Very Slightly, Heated), Water (Heated) |
| Physical Description | Solid |
| Schmelzpunkt | 263-265°C |
| Dichte | 1.73±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Refrigerator |
| pKa (Säurekonstante) | 1.31±0.50(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| InChI | 1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9) |
| InChIKey | JKLRIMRKZBSSED-UHFFFAOYSA-N |
| CAS Datenbank | 543-18-0 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| UN-Transportnummer | 3261 |
| Zollcode | 2927000090 |
| R-Sätze (R) | 34 |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Guanidinoethyl sulfonate, also known as taurocyamine, is a natural guanidine-taurine analog derived from taurine. It is an intermediate of taurine and hypotaurine metabolism and is phosphorylated by taurocyamine kinase. Guanidinoethyl sulfonate competitively inhibits taurine uptake by sodium-dependent taurine transporters in rat hepatocytes (Ki = 1.75 mM). It also acts as a competitive glycine receptor antagonist in mouse striatal neurons. Plasma levels of guanidinoethyl sulfonate are significantly increased in patients with chronic renal failure.