≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
ADAMTS-5 Inhibitor is a thioxothiazolidinone compound that possesses a Zn|2+|-chelating structural motif and acts as an ADAMTS-5 (aggrecanase-2) inhibitor (IC|50|= 1.1 μM) with ~40-fold selectivity over ADAMTS-4 (aggrecanase-1).
| pKa | pKa: 6.69 (Predicted) |
|---|
| Pubchem Sid | 504768477 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768477 |
| Canonical Smiles | CN1C(=C(C(=N1)C(F)(F)F)C=C2C(=O)NC(=S)S2)SCC3=CC=C(C=C3)Cl |
| IUPAC Name | (5Z)-5-[[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| InChIKey | CVYPRDPBCXSVBN-WDZFZDKYSA-N |
| INCHI | 1S/C16H11ClF3N3OS3/c1-23-14(26-7-8-2-4-9(17)5-3-8)10(12(22-23)16(18,19)20)6-11-13(24)21-15(25)27-11/h2-6H,7H2,1H3,(H,21,24,25)/b11-6- |
| Isomeric SMILES | CN1C(=C(C(=N1)C(F)(F)F)/C=C\2/C(=O)NC(=S)S2)SCC3=CC=C(C=C3)Cl |
| Molecular Weight | 449.92 |
| Reaxy-Rn | 10717190 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10717190&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organosulfur compounds |
| Class | Thioethers |
| Subclass | Aryl thioethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aryl thioethers |
| Alternative Parents | Alkylarylthioethers Chlorobenzenes Thiazolidinethiones Aryl chlorides Pyrazoles Heteroaromatic compounds Cyclic dithiocarbamic acid esters Sulfenyl compounds Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides Organofluorides Organonitrogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Azole - Heteroaromatic compound - Dithiocarbamic acid ester - Pyrazole - Thiazolidine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2215224 | Certificate of Analysis | Aug 13, 2025 | A334806 |
| K2215225 | Certificate of Analysis | Aug 13, 2025 | A334806 |
| K2215409 | Certificate of Analysis | Aug 13, 2025 | A334806 |
| K2215410 | Certificate of Analysis | Aug 13, 2025 | A334806 |
| Solubility | Soluble in DMSO (10 mg/ml). |
|---|---|
| Molecular Weight | 449.900 g/mol |
| XLogP3 | 5.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 448.97 Da |
| Monoisotopic Mass | 448.97 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 626.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
