HuagongsheHuagongshe Chemistry Print Report · For research reference only
Afegostat
Afegostat · D-Isofagomine · Unii-G23ap190ys · IsofagomineHydrochlroide · SOFAGOMINE, HYDROCHLORIDE · ISOFAGOMINE, HYDROCHLORIDE · 5-Hydroxymethyl-3,4-piperidinediol · 5-(HYDROXYMETHYL)PIPERIDINE-3,4-DIOL
Identifiers & Physical Properties
| CAS No. | 169105-89-9 |
|---|---|
| Molecular formula | C6H13NO3 |
| Average molar mass | 147.17 g/mol |
| Monoisotopic mass | 147.08954328 g/mol |
| SMILES | OC[C@H]1CNC[C@@H](O)[C@@H]1O |
| InChIKey | QPYJXFZUIJOGNX-HSUXUTPPSA-N |
| PubChem CID | 447607 |
| ChEMBL | CHEMBL206468 |
| ChEBI | CHEBI:194390 |
| DTXSID | DTXSID20168651 |
Chemical & Physical Properties
| XLogP | -1.5 |
|---|---|
| Topological polar surface area | 72.7 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 109 |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| Boiling point | 317.2±37.0 °C(Predicted) |
| Density | 1.279±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C(protect from light) |
| Solubility | Soluble in DMSO |
| pKa (acidity coefficient) | 14.19±0.60(Predicted) |
| Physical state | Oil |
| Color | Colorless to light yellow |
| FDA UNII | G23AP190YS |
Applications & Uses
Uses
Isofagomine is a selective Inhibitor of β-Glycosidases.
Uses
A selective and very strong inhibitor of Glucosidase (Ki0.11uM)