LMP7-IN-1 5mg

Chemical Information
LMP7 Inhibitor M3258 is an orally bioavailable, potent, selective, reversible inhibitor of the large multifunctional peptidase 7 (LMP7, Beta5i, PSMB8), a chymotrypsin-like, proteolytic subunit of the immunoproteasome, with potential antineoplastic activity. Upon oral administration, LMP7 inhibitor M3258 targets and inhibits the proteolytic activity of the LMP7 subunit of immunoproteasome, thereby blocking its deubiquitylating activity. This blocks the ubiquitin proteasome degradation pathway, prevents the degradation of defective proteins, and leads to an accumulation of poly-ubiquitylated proteins. This induces the unfolded protein response (UPR) and results in both the induction of tumor cell apoptosis and the inhibition of tumor cell growth. Proteasomes are large multi-subunit protease complexes that degrade unneeded or damaged proteins that have been ubiquitinated, thereby restoring protein homeostasis. Unlike the constitutive proteasome, which is expressed in most tissues, immunoproteasome is specifically present in normal and malignant hematopoietic cells, including multiple myeloma. Immunoproteasome degrades ubiquitinated proteins, generates peptides for presentation on MHC class I, and plays a key role in the adaptive immune response and inflammatory diseases.
| CAS Number | 2285330-15-4 |
| PubChem CID | 138319683 |
| IUPAC Name | [(1R)-2-(1-benzofuran-3-yl)-1-[[(1S,2R,4R)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]boronic acid |
| Molecular Formula | C17H20BNO5 |
| Molecular Weight | 329.2 |
| Topological Polar Surface Area | 91.9 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 476 |
| Property | Value |
|---|---|
| Molecular Weight | 329.2 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 329.1434529 |
| Monoisotopic Mass | 329.1434529 |
| Topological Polar Surface Area | 91.9 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 476 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| 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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