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Sivelestat

CAT: 0957-S8136-10mM/1mLSize: 10 mM/1mLDry Ice: YesHazardous: No
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CAT#:0957-S8136-10mM/1mLSize:10 mM/1mL
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
127373-66-4
Synonyms
ONO-5046, LY544349, EI546
Target
Serine Protease
Applications
Proteases
Smiles
CC (C) (C) C (=O) OC1=CC=C (C=C1) S (=O) (=O) NC2=CC=CC=C2C (=O) NCC (=O) O
Molecular Formula
C20H22N2O7S
Additionnal Information
Sivelestat is a potent and selective inhibitor of neutrophil elastase with IC50 of 44nM. It almost shows no activity at a range of other proteases.
Storage Conditions
2 years -80 in solvent

Chemical Information

Sivelestat

Sivelestat is a N-acylglycine and a pivalate ester. It is functionally related to a N-benzoylglycine.

CAS Number127373-66-4
PubChem CID107706
IUPAC Name2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid
Molecular FormulaC20H22N2O7S
Molecular Weight434.5
XLogP3
Topological Polar Surface Area147
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity731
SMILES
CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NCC(=O)O
InChI
InChI=1S/C20H22N2O7S/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)
InChIKey
BTGNGJJLZOIYID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sivelestat
CAS: 127373-66-4
CID: 107706
Formula: C20H22N2O7S
MW: 434.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass434.11477222
Monoisotopic Mass434.11477222
Topological Polar Surface Area147 Ų
Heavy Atom Count30
Formal Charge0
Complexity731
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B2144-5Sivelestat
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A14184-200Sivelestat 200mg

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