HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chlor-L-tyrosin
3-CL-TYR-OH · 3-Cl-L-Tyr-OH · H-TYR(3-CL)-OH · Chlorotyrosine · 3-CHLOROTYROSINE · 3-Chloro-L-Tyr-OH · 3-CHLORO-L-TYROSINE · H-3-CHLORO-L-TYR-OH
Identifikatoren & physikalische Daten
| CAS No. | 7423-93-0 |
|---|---|
| Summenformel | C9H10ClNO3 |
| Durchschnittliche Molmasse | 215,63 g/mol |
| Monoisotopische Masse | 215,0349209 g/mol |
| SMILES | N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)O |
| InChIKey | ACWBBAGYTKWBCD-ZETCQYMHSA-N |
| PubChem CID | 110992 |
| ChEMBL | CHEMBL3808682 |
| ChEBI | CHEBI:53678 |
| EC No. | 231-050-3 |
| DTXSID | DTXSID801315678 |
| Lokaler Name | 3-Chlor-L-tyrosin |
Chemische & physikalische Eigenschaften
| XLogP | -1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 83,6 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 212 |
| Schmelzpunkt | 249 °C (lit.) |
| Siedepunkt | 388.6±42.0 °C(Predicted) |
| Dichte | 1.458±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at RT. |
| Löslichkeit | Aqueous Acid (Slightly), Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.21±0.20(Predicted) |
| Farbe | White to Off-White |
| BRN | 2941263 |
| Stabilität | Hygroscopic |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C9H10ClNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1 |
| InChIKey | ACWBBAGYTKWBCD-ZETCQYMHSA-N |
| SMILES | N[C@@H](Cc1ccc(O)c(Cl)c1)C(O)=O |
| CAS Datenbank | 7423-93-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| Zollcode | 2922500090 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Chloro-L-tyrosine was used in the enzymatic synthesis of halogen derivatives of aromatic amino acids labeled with hydrogen isotope. 3-Chloro-L-tyrosine exhibited stronger antioxidant properties in Hb-induced oxidative stress as was evident by higher efficiency of reduction of ferryl species.