NBM-T-BMX-OS01

Chemical Information
HDAC8 Inhibitor NBM-BMX is an orally bioavailable inhibitor of histone deacetylase (HDAC) type 8 (HDAC8; HDAC-8), with potential antineoplastic activity. Upon administration, NBM-BMX targets and inhibits the activity of HDAC8. This results in an accumulation of highly acetylated chromatin histones, chromatin remodeling, and selective transcription of tumor suppressor genes, ultimately promoting cell-cycle arrest and induction of tumor cell apoptosis. HDAC8, a class 1 histone deacetylase, plays a key role in transcriptional regulation and cell cycle progression. Aberrant expression of HDAC8 or deregulated interactions with transcription factors may contribute to tumorigenesis. Isotype-selective HDAC inhibitors may be associated with fewer adverse effects compared to pan-HDAC inhibitors.
| CAS Number | 1246952-34-0 |
| PubChem CID | 46931326 |
| IUPAC Name | (E)-N-hydroxy-3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]-3-(3-methylbut-2-enyl)phenyl]prop-2-enamide |
| Molecular Formula | C23H27NO5 |
| Molecular Weight | 397.5 |
| XLogP | 4.5 |
| Topological Polar Surface Area | 77 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 549 |
| Property | Value |
|---|---|
| Molecular Weight | 397.5 |
| XLogP3 | 4.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 9 |
| Exact Mass | 397.18892296 |
| Monoisotopic Mass | 397.18892296 |
| Topological Polar Surface Area | 77 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 549 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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