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USP25/28 inhibitor AZ1 - 10mM in DMSO, high purity , CAS No.2165322-94-9
USP/UBP Selective Inhibitors
Basic Description
Synonyms
Ethanol,2-[[[5-bromo-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]amino]-
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
AZ1 is a potent and noncompetitive dual Inhibitors of the ubiquitin-specific protease (USP) 25/28 with IC50s of 0.62 μM and 0.7 μM in Ub-RH110 assay,respectively.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Information
AZ1 is a potent and noncompetitive dual Inhibitors of theubiquitin-specific protease (USP) 25/28with IC50s of 0.62 μM and 0.7 μM in Ub-RH110 assay,respectively.
Targets
USP25 (Cell-free assay); USP28 (Cell-free assay) 0.62 μM; 0.7 μM
In vitro
AZ1 is able to reduce cell viability across a range of cancer cell lines with EC50 values typically clustered around 20 μM.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Phenoxy compounds Phenol ethers Fluorobenzenes Bromobenzenes Alkyl aryl ethers Dialkylamines Alkanolamines Organopnictogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides Alcohols and polyols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Halobenzene - Fluorobenzene - Bromobenzene - Alkyl aryl ether - Secondary amine - Ether - Secondary aliphatic amine - Alkanolamine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available
Data sources
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.
Product Properties
ALogP
4.291
HBD Count
2
Rotatable Bond
8
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-[[5-bromo-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol
INCHI
InChI=1S/C17H16BrF4NO2/c18-13-2-4-16(12(8-13)9-23-5-6-24)25-10-11-1-3-15(19)14(7-11)17(20,21)22/h1-4,7-8,23-24H,5-6,9-10H2
InChIKey
ITHSFXDGKQYOED-UHFFFAOYSA-N
Smiles
C1=CC(=C(C=C1COC2=C(C=C(C=C2)Br)CNCCO)C(F)(F)F)F
Isomeric SMILES
C1=CC(=C(C=C1COC2=C(C=C(C=C2)Br)CNCCO)C(F)(F)F)F
PubChem CID
135397656
Molecular Weight
422.21
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
DMSO(mg / mL) Max Solubility
84
DMSO(mM) Max Solubility
198.953127590536
Water(mg / mL) Max Solubility
＜1
Molecular Weight
422.200 g/mol
XLogP3
3.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
7
Exact Mass
421.03 Da
Monoisotopic Mass
421.03 Da
Topological Polar Surface Area
41.500 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
399.000
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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