HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-1H-indol-2-carboxylat
METHYL 1H-INDOLE-2-CARBOXYLATE · methyl indoline-2-carboxylate · METHYL INDOLE-2-CARBOXYLATE · AKOS JY2083539 · BUTTPARK 99\04-61 · 2-(methoxycarbonyl)-indol · ETHYL-INDOLE-2-CABOXYLATE · METHYL-INDOLE-2-CABOXYLATE
Identifikatoren & physikalische Daten
| CAS No. | 1202-04-6 |
|---|---|
| Summenformel | C10H9NO2 |
| Durchschnittliche Molmasse | 175,18 g/mol |
| Monoisotopische Masse | 175,06332853 g/mol |
| SMILES | COC(=O)c1cc2ccccc2[nH]1 |
| InChIKey | NQPIEWBAWBFGOB-UHFFFAOYSA-N |
| PubChem CID | 70992 |
| ChEMBL | CHEMBL4467578 |
| EC No. | 214-861-7 |
| DTXSID | DTXSID10152726 |
| Lokaler Name | Methyl-1H-indol-2-carboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 205 |
| LogP (Verteilungskoeffizient) | 2.78 |
| Schmelzpunkt | 151 °C |
| Siedepunkt | 331.7±15.0 °C(Predicted) |
| Dichte | 0.47 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 14.97±0.30(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Light yellow |
| Löslichkeit | 470 mg/L (25 ºC) |
| CAS Datenbank | 1202-04-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): 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 6 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (66.7%) |
| UN-Transportnummer | 2811 |
| Zollcode | 29339900 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-26-36/37/39 |
Anwendungen & Verwendung
Verwenden
Methyl Indole-2-carboxylate has been shown to inhibit the production of β-amyloid, an important factor in the pathogenesis of Alzheimer's disease. Methyl indole-2-carboxylate has also been shown to inhibit ion exchange, melatonin synthesis and aziridine production. Methyl indole-2-carboxylate was found to have a very high affinity for aldehydes. It is also able to cross the blood-brain barrier into the brain and has been shown to be effective against pancreatic cancer cells in vitro.