HuagongsheHuagongshe Chemistry Print Report · For research reference only
Lorglumide
cr1409 · LORGLUMIDE · IEKOTSCYBBDIJC-UHFFFAOYSA-N · LORGLUMIDE SODIUM SALT (CR 1409) NON-PEP TIDE CCK ANTAG · d,l-4-(3,4-dichlorobenzoylamino)-5-(dipentylamino)-5-oxo-pentanoicacid · 4-dichlorobenzoyl)amino)-5-(dipentylamino)-5-oxo-4-(((+-)-pentanoicaci · Pentanoic acid, 4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxo- · (±)-4-[(3,4-dichlorobenzoyl)amino]-5-(dipentylamino)-5-oxopentanoic acid sodium salt
Identifiers & Physical Properties
| CAS No. | 97964-56-2 |
|---|---|
| Molecular formula | C22H32Cl2N2O4 |
| Average molar mass | 459.4 g/mol |
| Monoisotopic mass | 458.17391286 g/mol |
| SMILES | CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1 |
| InChIKey | IEKOTSCYBBDIJC-UHFFFAOYSA-N |
| PubChem CID | 3960 |
| ChEMBL | CHEMBL24938 |
| ChEBI | CHEBI:88307 |
| DTXSID | DTXSID2046961 |
Chemical & Physical Properties
| XLogP | 5.5 |
|---|---|
| Topological polar surface area | 86.7 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 14 |
| Heavy atoms | 30 |
| Formal charge | 0 |
| Complexity | 537 |
| Boiling point | 621.4±55.0 °C(Predicted) |
| Density | 1.195±0.06 g/cm3(Predicted) |
| Solubility | 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: >10 mg/mL |
| Physical state | solid |
| pKa (acidity coefficient) | 4.47±0.10(Predicted) |
| Color | white |
| FDA UNII | LAD1UQ73BE |
| Water hazard class (WGK) | 2 |
| RTECS number | SA3680700 |
Safety & Regulations
| Water hazard class (WGK) | 2 |
|---|---|
| RTECS number | SA3680700 |
Applications & Uses
Uses
Lorglumide is a specific cholecytokinin receptor antagonist. It is also an intermediate in synthesizing Lorglumide Sodium Salt (L469910), a nonpeptidic antagonist of the CCK A receptor, and minimally effective at the CCK B receptor. It blocks CCK -mediated muscle contraction, pancreatic growth and secretion.