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Ethyl 2-aminothiazole-4-carboxylate
ETHYL 2-AMINOTHIAZOLE-4-CARBOXYLATE · 2-AMINO-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER · 2-aminothiazole-4-carboxylate · ETHYL-2-AMINO-1,3-THIOZOLE-4-CARBOXYLATE · AKOS BB-9218 · TOSLAB 14869 · BUTTPARK 33\04-57 · TIMTEC-BB SBB000178
Identifikatoren & physikalische Daten
| CAS No. | 5398-36-7 |
|---|---|
| Summenformel | C6H8N2O2S |
| Durchschnittliche Molmasse | 172,21 g/mol |
| Monoisotopische Masse | 172,0306485 g/mol |
| SMILES | CCOC(=O)c1csc(N)n1 |
| InChIKey | XHFUVBWCMLLKOZ-UHFFFAOYSA-N |
| PubChem CID | 73216 |
| ChEMBL | CHEMBL1620353 |
| EC No. | 611-074-4 |
| DTXSID | DTXSID60202285 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 93,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 154 |
| Stoffklassen | Nitrogen Compounds -> Thiazoles |
| Physical Description | Pale yellow powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 177 °C |
| Siedepunkt | 308.0±15.0 °C(Predicted) |
| Dichte | 1.336±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.60±0.10(Predicted) |
| Farbe | Pale Beige |
| InChI | InChI=1S/C6H8N2O2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3,(H2,7,8) |
| InChIKey | XHFUVBWCMLLKOZ-UHFFFAOYSA-N |
| SMILES | S1C=C(C(OCC)=O)N=C1N |
| CAS Datenbank | 5398-36-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See 4-Methylthiazole. |
| Hazard Classes and Categories | Acute Tox. 4 (11.1%) |
| Wassergefährdungsklasse (WGK) | nwg |
| Zollcode | 29349990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 24/25-36/37/39-26-22 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Ethyl 2-Amino-1,3-thiazole-4-carboxylate is a chemical reagent used in the preparation fo SAR thiazolamino arylaminopyrimidines as anaplastic lymphoma kinase inhibitors. As well as in the synthesis of 4-bicyclick piperadine derivatives as potent stearoyl-CoA desaturase (SCD1) inhibitors in the treatment of cancer.