Sivelestat Sodium
PubChem CID
23663985
Structure
Molecular Formula
Synonyms
- 201677-61-4
- Sivelestat sodium tetrahydrate
- sivelestat sodium hydrate
- Elaspol
- ONO-5046.Na
Molecular Weight
528.5 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2008-02-05
- Modify:2025-01-25
Description
Sivelestat sodium hydrate is a N-acylglycine. It is functionally related to a N-benzoylglycine.
SIVELESTAT SODIUM is a small molecule drug with a maximum clinical trial phase of III and has 1 investigational indication.
Chemical Structure Depiction
3D Conformer of Parent
SVG Image
Sequence
XG
sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate;tetrahydrate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
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
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
PLHREJBSQUSUCW-UHFFFAOYSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
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+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C20H29N2NaO11S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
201677-61-4
- N-(2-(4-(2,2-dimethylpropionyloxy)phenylsulfonylamino)benzoyl)aminoacetic acid
- ONO 5046
- ONO-5046
- Ono-EI-600
- sivelestat
- 201677-61-4
- Sivelestat sodium tetrahydrate
- sivelestat sodium hydrate
- Elaspol
- ONO-5046.Na
- LY544349 Sodium Hydrate
- Sivelestat (sodium tetrahydrate)
- Sivelestat sodium [USAN]
- Elaspol (TN)
- EI-546
- Sivelestat sodium (USAN)
- DTXSID0046727
- UNII-737RR8Y409
- ONO-5046 SODIUM HYDRATE
- Sivelestat sodium salt tetrahydrate
- LY-544349 SODIUM HYDRATE
- 737RR8Y409
- sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate;tetrahydrate
- DTXCID8026727
- SIVELESTAT SODIUM [MART.]
- Sivelestat sodium hydrate (JP17)
- SIVELESTAT SODIUM [WHO-DD]
- Ono 5046
- Glycine, N-(2-(((4-(2,2-dimethyl-1-oxopropoxy)phenyl)sulfonyl)amino)benzoyl)-, monosodium salt, tetrahydrate
- SIVELESTAT SODIUM HYDRATE [JAN]
- sodium 2-(2-(4-(pivaloyloxy)phenylsulfonamido)benzamido)acetate tetrahydrate
- SIVELESTAT SODIUM SALT TETRAHYDRATE [MI]
- Sodium ((2-(((4-((2,2-dimethylpropanoyl)oxy)phenyl)sulfonyl)amino)benzoyl)amino)acetate tetrahydrate
- SIVELESTAT SODIUM (MART.)
- ONO5046-Na;Sodium sivelestat;EI546 sodium;LY544349 sodium
- Sodium sivelestat
- EI546 sodium tetrahydrate;LY544349 sodium tetrahydrate;ONO5046 sodium tetrahydrate
- EI546 sodium
- CAS-201677-61-4
- LY544349 sodium
- NCGC00167577-01
- ONO5046-Na
- Monosodium N-(2-(4-(2,2-dimethylpropanoyloxy)phenylsulfonylamino)benzoyl)aminoacetate tetrahydrate
- Monosodium N-{2-[4-(2,2-dimethylpropanoyloxy)phenylsulfonylamino]benzoyl}aminoacetate tetrahydrate
- Sodium [[2-[[[4-[(2,2-dimethylpropanoyl)oxy]phenyl]sulfonyl]amino]benzoyl]amino]acetate tetrahydrate
- sodium 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate tetrahydrate
- Elaspol sodium salt tetrahydrate
- CHEMBL3182314
- CHEBI:32133
- Sivelestat (sodium salt hydrate)
- HY-17443BR
- Sivelestat (sodium salt hydrate)?
- BCP09535
- EX-A7814
- Tox21_112570
- HY-17443B
- s4666
- AKOS015901086
- AKOS015963357
- Tox21_112570_1
- AC-1291
- CCG-269903
- CS-3380
- Sivelestat sodium for injection (JP17)
- NCGC00263570-01
- Sivelestat (sodium tetrahydrate) (Standard)
- 5134H
- D01918
- G60940
- J-013081
- Q27266149
- Sodium ((2-(((4-((2,2-dimethylpropanoyl)oxy)phenyl)sulfonyl)amino)benzoyl)amino)acetate tetrahydrate
- sodium,2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate,tetrahydrate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
528.5 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
6
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
12
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
9
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
528.13897520 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
528.13897520 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
154 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
35
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
738
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
6
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Gene Count
Serine Proteinase Inhibitors
Exogenous or endogenous compounds which inhibit SERINE ENDOPEPTIDASES. (See all compounds classified as Serine Proteinase Inhibitors.)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=PLHREJBSQUSUCW-UHFFFAOYSA-M
- ChEBISivelestat sodium hydratehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32133
- Open TargetsLICENSEDatasets generated by the Open Targets Platform are freely available for download.https://platform-docs.opentargets.org/licenceSIVELESTAT SODIUMhttps://platform.opentargets.org/drug/CHEMBL3182314
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ChemIDplusSivelestat sodium [USAN]https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0201677614ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxSivelestat sodium tetrahydratehttps://comptox.epa.gov/dashboard/DTXSID0046727CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingSIVELESTAT SODIUMhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/737RR8Y409
- ClinicalTrials.govLICENSEThe ClinicalTrials.gov data carry an international copyright outside the United States and its Territories or Possessions. Some ClinicalTrials.gov data may be subject to the copyright of third parties; you should consult these entities for any additional terms of use.https://clinicaltrials.gov/ct2/about-site/terms-conditions#Use
- Drug Gene Interaction database (DGIdb)LICENSEThe data used in DGIdb is all open access and where possible made available as raw data dumps in the downloads section.http://www.dgidb.org/downloadsSIVELESTAT SODIUMhttps://www.dgidb.org/drugs/chembl:CHEMBL3182314
- Therapeutic Target Database (TTD)Sivelestat sodium hydratehttps://idrblab.net/ttd/data/drug/details/D05QHL
- KEGGLICENSEAcademic users may freely use the KEGG website. Non-academic use of KEGG generally requires a commercial licensehttps://www.kegg.jp/kegg/legal.htmlTherapeutic category of drugs in Japanhttp://www.genome.jp/kegg-bin/get_htext?br08301.kegTarget-based classification of drugshttp://www.genome.jp/kegg-bin/get_htext?br08310.kegDrugs listed in the Japanese Pharmacopoeiahttp://www.genome.jp/kegg-bin/get_htext?br08311.keg
- NCI Thesaurus (NCIt)LICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuseNCI Thesaurushttps://ncit.nci.nih.gov
- NIPH Clinical Trials Search of Japan
- Springer Nature
- Wikidatasivelestat sodium tetrahydratehttps://www.wikidata.org/wiki/Q27266149
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlSerine Proteinase Inhibitorshttps://www.ncbi.nlm.nih.gov/mesh/68015842
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 389757889https://pubchem.ncbi.nlm.nih.gov/substance/389757889
CONTENTS