Sivelestat

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Sivelestat
Accession Number
DB12863
Type
Small Molecule
Groups
Investigational
Description

Sivelestat has been used in trials studying the treatment of Acute Lung Injury and Respiratory Distress Syndrome, Adult.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
DWI62G0P59
CAS number
127373-66-4
Weight
Average: 434.46
Monoisotopic: 434.11477223
Chemical Formula
C20H22N2O7S
InChI Key
BTGNGJJLZOIYID-UHFFFAOYSA-N
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)
IUPAC Name
2-[(2-{4-[(2,2-dimethylpropanoyl)oxy]benzenesulfonamido}phenyl)formamido]acetic acid
SMILES
CC(C)(C)C(=O)OC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1C(=O)NCC(O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
PitavastatinThe serum concentration of Pitavastatin can be decreased when it is combined with Sivelestat.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
107706
PubChem Substance
347829021
ChemSpider
96875
BindingDB
50084637
ChEBI
135704
ChEMBL
CHEMBL76688
Wikipedia
Sivelestat

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentAcute Lung Injury (ALI) / Respiratory Distress Syndrome, Adult1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0152 mg/mLALOGPS
logP2.68ALOGPS
logP2.42ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)2.77ChemAxon
pKa (Strongest Basic)-1.6ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area138.87 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity107.78 m3·mol-1ChemAxon
Polarizability42.97 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Hippuric acids
Alternative Parents
N-acyl-alpha amino acids / Benzenesulfonamides / Sulfanilides / Phenol esters / Benzenesulfonyl compounds / Phenoxy compounds / Benzoyl derivatives / Organosulfonamides / Dicarboxylic acids and derivatives / Vinylogous amides
show 9 more
Substituents
Hippuric acid / N-acyl-alpha-amino acid / N-acyl-alpha amino acid or derivatives / Alpha-amino acid or derivatives / Benzenesulfonamide / Phenol ester / Sulfanilide / Benzenesulfonyl group / Phenoxy compound / Benzoyl
show 22 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:48 / Updated on November 02, 2018 07:30