AR-42

Chemical Information
AR-42 is a secondary carboxamide resulting from the formal condensation of the carboxy group of (2S)-3-methyl-2-phenylbutanoic acid with the amino group of 4-amino-N-hydroxybenzamide. It is a pan-HDAC inhibitor that was in clinical development for the treatment of hematological malignancies and solid tumours. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 3.5.1.98 (histone deacetylase) inhibitor and an apoptosis inducer. It is a secondary carboxamide, a member of benzenes and a hydroxamic acid.
| CAS Number | 935881-37-1 |
| PubChem CID | 6918848 |
| IUPAC Name | N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide |
| Molecular Formula | C18H20N2O3 |
| Molecular Weight | 312.4 |
| XLogP | 2.8 |
| Topological Polar Surface Area | 78.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 397 |
| Property | Value |
|---|---|
| Molecular Weight | 312.4 |
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 312.14739250 |
| Monoisotopic Mass | 312.14739250 |
| Topological Polar Surface Area | 78.4 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 397 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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