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Sivelestat sodium tetrahydrate - ≥98%, high purity , CAS No.201677-61-4

COA

Grade & Purity:

≥98%

Cas Number: 201677-61-4
Molecular Weight: 528.51
PubChem CID: 23663985
PubChem SID: 504769487

In stock

Item Number

S275861

Grouped product items
SKU	Size	Availability	Price
S275861-5mg	5mg	3	$49.90
S275861-10mg	10mg	3	$82.90
S275861-25mg	25mg	3	$186.90
S275861-50mg	50mg	3	$284.90
S275861-100mg	100mg	3	$414.90
S275861-250mg	250mg	3	$933.90
S275861-1g	1g	2	$3,361.90
S275861-5g	5g	2	$15,126.90

Neutrophil elastase inhibitor

View related series

Amino Acid/Protein Metabolism (1836) Anti-infection (2803) Elastase (31) Metabolic Enzyme/Protease (4860) SARS-CoV (200) Virus (1811)

Basic Description

Synonyms	LY544349 Sodium Hydrate \| LY-544349 SODIUM HYDRATE \| Tox21_112570 \| (8R,9S,10R,13S,14S)-4-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-quinone \| CAS-201677-61-4 \| EI-546 \| Sivelestat (sodium salt hydrate) \| A
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	It is a competitive human neutrophil elastase (HNE) inhibitor (IC50 = 44 nm, Ki = 0.2 μ M)。 It also inhibited leukocyte elastase obtained from rabbits, rats, hamsters and mice (IC50 = 19 to 49 nm). But even at 100 μ At m, it also did not inhibit trypsin,
Source	Synthetic
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Note	Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description	Store at Room Temperature. The product can be stored for up to 12 months.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 Hippuric acids and derivatives
        Level7 Hippuric acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides - Hippuric acids and derivatives
Direct Parent	Hippuric acids
Alternative Parents	N-acyl-alpha amino acids Sulfanilides Phenol esters Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Benzoyl derivatives Organosulfonamides Dicarboxylic acids and derivatives Vinylogous amides Aminosulfonyl compounds Secondary carboxylic acid amides Carboxylic acid esters Carboxylic acid salts Carboxylic acids Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Phenol ester - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Organosulfonic acid amide - Dicarboxylic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Secondary carboxylic acid amide - Organic alkali metal salt - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organic salt - Organopnictogen compound - Organic zwitterion - Aromatic homomonocyclic compound
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.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504769487
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769487
IUPAC Name	sodium;2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetate;tetrahydrate
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
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+]
Isomeric 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+]
PubChem CID	23663985
Molecular Weight	528.51

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
B2225306	Certificate of Analysis	Sep 20, 2023	S275861
B2225825	Certificate of Analysis	Sep 20, 2023	S275861
B2225831	Certificate of Analysis	Sep 20, 2023	S275861
B2225300	Certificate of Analysis	Sep 20, 2023	S275861
B2225829	Certificate of Analysis	Sep 20, 2023	S275861
B2225826	Certificate of Analysis	Sep 20, 2023	S275861
B2225815	Certificate of Analysis	Sep 20, 2023	S275861
B2225843	Certificate of Analysis	Sep 20, 2023	S275861

Chemical and Physical Properties

Solubility	Soluble in DMSO
Molecular Weight	528.500 g/mol
XLogP3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	9
Exact Mass	528.139 Da
Monoisotopic Mass	528.139 Da
Topological Polar Surface Area	154.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	738.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	6

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