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Sivelestat sodium

CAT: 0013-GTR19201728-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19201728-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sivelestat sodium is a potent and selective human neutrophil elastase inhibitor. It has been shown to ameliorate sepsis-induced myocardial dysfunction in research models by activating the PI3K/AKT/mTOR pathway, supporting its investigation for conditions like acute lung injury and acute respiratory distress syndrome.
CAS Number
150374-95-1
Product Name Alternative
Sivelestat sodium, Sivelestat sodium salt, EI546 sodium, EI 546 sodium, LY 544349, LY544349, LY-544349, LY544349 sodium, LY-544349 sodium, ONO5046, ONO-5046, ONO5046 sodium, ONO 5046, ONO 5046 sodium
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (7.23 mM) ; DMSO:80 mg/mL (175.27 mM)
Smiles
O=C (CNC (C1=C (NS (=O) (C2=CC=C (C=C2) OC (C (C) (C) C) =O) =O) C=CC=C1) =O) [O-].[Na+]
Molecular Formula
C20H21N2NaO7S
Molecular Weight
456.45
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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

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