10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Information
ML364 is a small molecule inhibitor of thedeubiquitinase USP2with an IC50 of 1.1 μM in a biochemical assay using an internally quenched fluorescent di-ubiquitin substrate.
Targets
USP8 (Cell-free assay); USP2 (Cell-free assay) 0.95 μM; 1.1 μM
In vitro
ML364 induces an increase in cellular cyclin D1 degradation and causes cell cycle arrest in Mino and HCT116 cancer cell lines. ML364 is antiproliferative in cancer cell lines. ML364 also causes a decrease in homologous recombination-mediated DNA repair. It is inactive against caspase 6, caspase 7, MMP1, MMP9, and USP15, but does inhibit USP8 with an IC50 of 0.95 μM. In a panel of 102 kinases that included regulators of the cell cycle there is no binding observed to any of the enzymes tested using 10 μM ML364.
Cell Research(from reference)
Cell lines：LnCAP cells and MCF7 cells
Concentrations：0-20 μM
Incubation Time：24 h
| ALogP | 5.475 |
|---|---|
| hba_count | 4 |
| Nombre de HBD | 2 |
| Liaison rotative | 7 |
| Pubchem Sid | 528765530 |
|---|---|
| Sourires canoniques | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=NC(=CS3)C4=CC=CC=C4 |
| IUPAC Name | 2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide |
| InChIKey | QZUGMNXETPARLI-UHFFFAOYSA-N |
| INCHI | 1S/C24H18F3N3O3S2/c1-15-7-10-18(11-8-15)35(32,33)30-20-13-17(24(25,26)27)9-12-19(20)22(31)29-23-28-21(14-34-23)16-5-3-2-4-6-16/h2-14,30H,1H3,(H,28,29,31) |
| Isomères SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(F)(F)F)C(=O)NC3=NC(=CS3)C4=CC=CC=C4 |
| Poids moléculaire | 517.54 |
| Reaxy-Rn | 30337063 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30337063&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 | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Toluenes |
| Intermediate Tree Nodes | Tosyl compounds |
| Direct Parent | P-toluenesulfonamides |
| Alternative Parents | Trifluoromethylbenzenes Sulfanilides Benzenesulfonamides Benzamides Benzenesulfonyl compounds Benzoyl derivatives 2,4-disubstituted thiazoles Organosulfonamides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Alkyl fluorides Organooxygen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | P-toluenesulfonamide - Benzenesulfonamide - Trifluoromethylbenzene - Sulfanilide - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - 2,4-disubstituted 1,3-thiazole - Organosulfonic acid amide - Vinylogous amide - Aminosulfonyl compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a sulfonamide group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO (mg/mL) Solubilité maximale | 50 |
|---|---|
| DMSO (mM) Solubilité maximale | 96.6108899795185 |
| Eau (mg/mL) Solubilité maximale | ＜1 |
| Poids moléculaire | 517.500 g/mol |
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 517.074 Da |
| Monoisotopic Mass | 517.074 Da |
| Topological Polar Surface Area | 125.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 822.000 |
| 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 | 1 |
