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Sivelestat sodium tetrahydrate

CAT: 0013-GTR19202093-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202093-01Size:10 mg
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Description
Sivelestat sodium tetrahydrate (ONO-5046) is a potent and competitive inhibitor of human neutrophil elastase, exhibiting an IC50 of 44 nM and a Ki of 200 nM. This compound is a research tool for investigating conditions such as acute lung injury and ARDS, including in the context of COVID-19, with applications in both in vitro and in vivo experimental models.
CAS Number
201677-61-4
Product Name Alternative
Elaspol, Elaspol sodium, Elaspol sodium tetrahydrate, Elaspol sodium Tetrahydrate, ONO 5046, ONO5046 sodium, ONO-5046 sodium, ONO5046 sodium tetrahydrate, ONO5046 sodium Tetrahydrate, ONO-5046 sodium tetrahydrate, ONO-5046 sodium Tetrahydrate, ONO5046, ONO-5046, Neutrophil elastase (human), Serine Protease, SerineProtease, Sivelestat Sodium, Sivelestat sodium, Sivelestat Sodium Hydrate, Sivelestat sodium Tetrahydrate
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
99.64% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (9.46 mM) ; DMSO:225 mg/mL (425.73 mM)
Smiles
O.O.O.O.[NaH].CC (C) (C) C (=O) Oc1ccc (cc1) S (=O) (=O) Nc1ccccc1C (=O) NCC (O) =O
Molecular Formula
C20H29N2NaO11S
Molecular Weight
528.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sivelestat Sodium

Sivelestat sodium hydrate is a N-acylglycine. It is functionally related to a N-benzoylglycine.

CAS Number201677-61-4
PubChem CID23663985
IUPAC Namesodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate;tetrahydrate
Molecular FormulaC20H29N2NaO11S
Molecular Weight528.5
Topological Polar Surface Area154
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count35
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-].O.O.O.O.[Na+]
InChI
InChI=1S/C20H22N2O7S.Na.4H2O/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);;4*1H2/q;+1;;;;/p-1
InChIKey
PLHREJBSQUSUCW-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sivelestat Sodium
CAS: 201677-61-4
CID: 23663985
Formula: C20H29N2NaO11S
MW: 528.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass528.13897520
Monoisotopic Mass528.13897520
Topological Polar Surface Area154 Ų
Heavy Atom Count35
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 Count6
Compound Is CanonicalizedYes

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