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S-methyl-KE-298 - 95%, high purity , CAS No.143584-75-2

COA

Grade & Purity:

≥95%

Cas Number: 143584-75-2
Molecular Weight: 252.33
PubChem CID: 10037864

In stock

Item Number

S412309

Grouped product items
SKU	Size	Availability	Price
S412309-1mg	1mg	3	$199.90
S412309-5mg	5mg	3	$699.90
S412309-10mg	10mg	3	$1,119.90
S412309-25mg	25mg	2	$2,239.90

View related series

Amino Acid/Protein Metabolism (1836) Metabolite (5307)

Basic Description

Synonyms	M-2；2-((Methylthio)methyl)-4-oxo-4-(p-tolyl)butanoic acid
Specifications & Purity	≥95%
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.
Product Description	Information S-methyl-KE-298 (M-2) is an active KE-298 metabolite. KE-298 inhibits matrix metalloproteinase (MMP-1) production from rheumatoid arthritis (RA) synovial cells.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Ketones
        Level6 Aryl ketones
        Level7 Phenylketones
        Level8 Alkyl-phenylketones

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Ketones - Aryl ketones - Phenylketones
Direct Parent	Alkyl-phenylketones
Alternative Parents	Butyrophenones Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Toluenes Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Toluene - Monocyclic benzene moiety - Benzenoid - Keto acid - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
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

Names and Identifiers

IUPAC Name	4-(4-methylphenyl)-2-(methylsulfanylmethyl)-4-oxobutanoic acid
INCHI	InChI=1S/C13H16O3S/c1-9-3-5-10(6-4-9)12(14)7-11(8-17-2)13(15)16/h3-6,11H,7-8H2,1-2H3,(H,15,16)
InChIKey	WRIZBWMOURRWRW-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)C(=O)CC(CSC)C(=O)O
Isomeric SMILES	CC1=CC=C(C=C1)C(=O)CC(CSC)C(=O)O
PubChem CID	10037864
Molecular Weight	252.33

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
L2318154	Certificate of Analysis	Nov 29, 2023	S412309
L2318152	Certificate of Analysis	Nov 29, 2023	S412309
L2318118	Certificate of Analysis	Nov 29, 2023	S412309
L2318119	Certificate of Analysis	Nov 29, 2023	S412309
L2318153	Certificate of Analysis	Nov 29, 2023	S412309
L2318155	Certificate of Analysis	Nov 29, 2023	S412309

Chemical and Physical Properties

Solubility	Soluble in DMSO
Molecular Weight	252.330 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	252.082 Da
Monoisotopic Mass	252.082 Da
Topological Polar Surface Area	79.700 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	270.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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