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Sivelestat sodium

CAT: 0957-E6013-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E6013-02Size:25 mg
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Description
Sivelestat sodium (ONO-5046, Sodium sivelestat, LY544349 sodium) is a potent, specific, and intravenously active inhibitor of neutrophil elastase with an IC50 value of 44 nm. It is a useful agent for studying the roles of neutrophil elastase in animal disease models such as emphysema, adult respiratory distress syndrome, septic shock and disseminated intravascular coagulation in COVID-19.
CAS Number
150374-95-1
Synonyms
ONO-5046, Sodium sivelestat, LY544349 sodium
Target
Serine Protease
Activity
Proteases
Molecular Formula
C20H21N2NaO7S

Chemical Information

sivelestat sodium anhydrous
CAS Number150374-95-1
PubChem CID23664980
IUPAC Namesodium 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate
Molecular FormulaC20H21N2NaO7S
Molecular Weight456.4
Topological Polar Surface Area150
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity738
SMILES
CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)[O-].[Na+]
InChI
InChI=1S/C20H22N2O7S.Na/c1-20(2,3)19(26)29-13-8-10-14(11-9-13)30(27,28)22-16-7-5-4-6-15(16)18(25)21-12-17(23)24;/h4-11,22H,12H2,1-3H3,(H,21,25)(H,23,24);/q;+1/p-1
InChIKey
ZAIFANJZUGNYCK-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of sivelestat sodium anhydrous
CAS: 150374-95-1
CID: 23664980
Formula: C20H21N2NaO7S
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight456.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass456.09671647
Monoisotopic Mass456.09671647
Topological Polar Surface Area150 Ų
Heavy Atom Count31
Formal Charge0
Complexity738
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes