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LOX-IN-3

CAT: 0607-BA8501-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8501-25Size:25 mg
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CAS Number
2409963-83-1
Form
A solid
Molecular Formula
C13H13FN2O2S
Molecular Weight
280.32
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Pxs-5505

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 Number2409963-83-1
PubChem CID146317833
IUPAC Name(Z)-3-fluoro-4-quinolin-8-ylsulfonylbut-2-en-1-amine
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32
XLogP0.4
Topological Polar Surface Area81.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity430
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)C/C(=C/CN)/F)N=CC=C2
InChI
InChI=1S/C13H13FN2O2S/c14-11(6-7-15)9-19(17,18)12-5-1-3-10-4-2-8-16-13(10)12/h1-6,8H,7,9,15H2/b11-6-
InChIKey
DHXXLGDTPFPYRH-WDZFZDKYSA-N
Chemical Structure
2D Structure
2D structure of Pxs-5505
CAS: 2409963-83-1
CID: 146317833
Formula: C13H13FN2O2S
MW: 280.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight280.32
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass280.06817700
Monoisotopic Mass280.06817700
Topological Polar Surface Area81.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity430
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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