HuagongsheHuagongshe Chemistry Print Report · For research reference only
SQ 28603
603 · SQ28 · SQ 28603 · Squibb 28603 · SQ28603,SQ-28603 · 3-[(2-benzyl-3-sulfanylpropanoyl)amino]propanoic acid · N-[2-(Mercaptomethyl)-1-oxo-3-phenylpropyl]-β-alanine · β-Alanine, N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-

Identifiers & Physical Properties
| CAS No. | 100845-83-8 |
|---|---|
| Molecular formula | C13H17NO3S |
| Average molar mass | 267.35 g/mol |
| SMILES | O=C(O)CCNC(=O)C(CS)Cc1ccccc1 |
| InChIKey | ZCTDTVUDURCGFX-UHFFFAOYSA-N |
| PubChem CID | 123742 |
| ChEMBL | CHEMBL196902 |
| DTXSID | DTXSID60905805 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 67.4 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 7 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 277 |
| Boiling point | 533.3±50.0 °C(Predicted) |
| Density | 1.216±0.06 g/cm3(Predicted) |
| Storage conditions | Store at -20°C |
| Solubility | Soluble in DMSO |
| pKa (acidity coefficient) | 4.32±0.10(Predicted) |
Applications & Uses
Uses
SQ28603 is a potent and selective inhibitor of neutral endopeptidase 3.4.24.11 (NEP), an enzyme that degrades atrial natriuretic peptide (ANP).