HuagongsheHuagongshe Chemistry Print Report · For research reference only
1H-Indole-3-carboxylic acid, 1-methyl-, (1-(2-((methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl ester
GR 113808 · GR113808, selective 5-HT4 antagonist · 1-[2-(METHYLSULFONYL)-AMINO]ETHYL-4-PIPERIDINYLMETHYL 1-METHYL-1H-INDOLE-3-CARBOXYLATE · 1-Methyl-1H-indole-3-carboxylicacid,[1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]methyles · 1-METHYL-1H-INDOLE-3-CARBOXYLIC ACID, [1-[2-[(METHYLSULFONYL)AMINO]ETHYL]-4-PIPERIDINYL]METHYL ESTER · 1H-Indole-3-carboxylic acid, 1-methyl-, [1-[2-[(methylsulfonyl)amino]ethyl]-4-piperidinyl]methyl ester
Identifiers & Physical Properties
| CAS No. | 144625-51-4 |
|---|---|
| Molecular formula | C19H27N3O4S |
| Average molar mass | 393.509 g/mol |
| Monoisotopic mass | 393.17222734 g/mol |
| SMILES | Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21 |
| InChIKey | MOZPSIXKYJUTKI-UHFFFAOYSA-N |
| PubChem CID | 119376 |
| ChEMBL | CHEMBL33884 |
| ChEBI | CHEBI:73380 |
| DTXSID | DTXSID40162772 |
Chemical & Physical Properties
| Boiling point | 572.3±53.0 °C(Predicted) |
|---|---|
| Density | 1.30±0.1 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| Solubility | DMSO: 44 mg/mL, soluble |
| Physical state | solid |
| pKa (acidity coefficient) | 11.22±0.40(Predicted) |
| Color | white |
| InChI | 1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3 |
| InChIKey | MOZPSIXKYJUTKI-UHFFFAOYSA-N |
| FDA UNII | ZT350OYT3I |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
| Water hazard class (WGK) | 3 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| Storage class | 11 - Combustible Solids |
Applications & Uses
Uses
GR 113808 has been used as a serotonin receptor 4 (5-HT4R) blocker to study its effects on the calcium (Ca2+) transients in rat ventricular cardiomyocytes. It has also been used as a 5-HT4R antagonist to study its effects on de novo enteric neurogenesis in post-embryonic zebrafish.