HuagongsheHuagongshe Chemistry Print Report · For research reference only
Belinostat acid
Belinostat M3 · Belinostat acid · Belistolic acid · Belinostat Impurity 3 · Belinostat Acid Impurity · Belinostat Impurity 5 (Belinostat Acid) · (2E)-3-[3-(Phenylsulfamoyl)phenyl]acrylic acid · (E)-3-(3-(N-phenylsulfaMoyl)phenyl)acrylic acid
Identifiers & Physical Properties
| CAS No. | 866323-87-7 |
|---|---|
| Molecular formula | C15H13NO4S |
| Average molar mass | 303.3 g/mol |
| Monoisotopic mass | 303.05652907 g/mol |
| SMILES | O=C(O)/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1 |
| InChIKey | ALGZPROJSRYPIG-MDZDMXLPSA-N |
| PubChem CID | 22492441 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 91.9 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 474 |
| Melting point | 210 - 216°C |
| Boiling point | 529.4±52.0 °C(Predicted) |
| Density | 1.416±0.06 g/cm3(Predicted) |
| Storage conditions | Amber Vial, -20°C Freezer, Under inert atmosphere |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | 4.20±0.10(Predicted) |
| Physical state | Solid |
| Color | White to Off-White |
| FDA UNII | D342E3PX5U |
Applications & Uses
Uses
Belinostat Acid is a metabolite of Belinostat (B131400), a novel histone deacetylase 3 selective inhibitor, which protects the β cells from cytokine-induced apoptosis.