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ML364 - 99%, high purity , CAS No.1991986-30-1

COA

Grade & Purity:

≥99%

Cas Number: 1991986-30-1
Molecular Weight: 517.54
PubChem CID: 70789348
PubChem SID: 504771991

In stock

Item Number

M413614

Grouped product items
SKU	Size	Availability	Price
M413614-5mg	5mg	2	$81.90
M413614-10mg	10mg	2	$129.90
M413614-25mg	25mg	2	$292.90
M413614-50mg	50mg	2	$565.90
M413614-100mg	100mg	1	$957.90

USP/UBP Selective Inhibitors

View related series

Cell Cycle/DNA Damage (2602) Deubiquitinase (86) Unfolded Protein Response (214)

Basic Description

Synonyms	ML364
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	ML364 is a small molecule inhibitor of the deubiquitinase USP2 with an IC50 of 1.1 μM in a biochemical assay using an internally quenched fluorescent di-ubiquitin substrate.
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 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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes
      - Level5 Tosyl compounds
        Level6 P-toluenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
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

Product Properties

ALogP	5.475
hba_count	4
HBD Count	2
Rotatable Bond	7

Associated Targets(Human)

HCT-116 (91556 Activities)

Explore this target

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

USP2 Tbio Ubiquitin carboxyl-terminal hydrolase 2 (8818 Activities)

Discover Target: USP2

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	504771991
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504771991
IUPAC Name	2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
INCHI	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)
InChIKey	QZUGMNXETPARLI-UHFFFAOYSA-N
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
Isomeric 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
Molecular Weight	517.54
Reaxy-Rn	30337063
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30337063&ln=

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.

5 results found

Lot Number	Certificate Type	Date	Item
H2220319	Certificate of Analysis	Jun 09, 2025	M413614
H2220320	Certificate of Analysis	Jun 09, 2025	M413614
H2220316	Certificate of Analysis	Jun 09, 2025	M413614
H2220318	Certificate of Analysis	Jun 09, 2025	M413614
H2220317	Certificate of Analysis	Jun 09, 2025	M413614

Chemical and Physical Properties

Solubility	Solubility (25°C) In vitro DMSO: 50 mg/mL (96.61 mM); Ethanol: 25 mg/mL (48.3 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility	50
DMSO(mM) Max Solubility	96.6108899795185
Water(mg / mL) Max Solubility	＜1
Molecular Weight	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 Å²
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

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