LOX-IN-3

Chemical Information
Amsulostat is an orally available, small-molecule, irreversible inhibitor of all lysyl oxidases (LOX) family members, with potential antifibrotic activity. Upon oral administration, amsulostat targets, binds to and inhibits the activity of all enzymes in the LOX family. This prevents the post-translational oxidative deamination of lysine residues on target proteins, including collagen and elastin, and reduces the formation of deaminated lysine (allysine), the formation of inter- and intramolecular cross-linkages and may prevent remodeling of the extracellular matrix (ECM), thereby reducing fibrotic tissue formation in certain chronic fibrotic diseases. LOX is often upregulated in fibrotic tissue and plays a key role in fibrosis.
| CAS Number | 2409963-83-1 |
| PubChem CID | 146317833 |
| IUPAC Name | (Z)-3-fluoro-4-quinolin-8-ylsulfonylbut-2-en-1-amine |
| Molecular Formula | C13H13FN2O2S |
| Molecular Weight | 280.32 |
| XLogP | 0.4 |
| Topological Polar Surface Area | 81.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 430 |
| Property | Value |
|---|---|
| Molecular Weight | 280.32 |
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 280.06817700 |
| Monoisotopic Mass | 280.06817700 |
| Topological Polar Surface Area | 81.4 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 430 |
| 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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