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USP28-IN-3

CAT: 0804-HY-149229-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-149229-01Size:1 mg
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Description
USP28-IN-3 is a USP28 inhibitor (IC50=0.1 μM) with high selectivity over USP2, USP7, USP8, USP9x, UCHL3 and UCHL5. USP28-IN-3 shows cytotoxicity against cancer cells, down-regulates the cellular level of c-Myc through ubiquitin-proteasome system. USP28-IN-3 also decreases the ankyrase-1/2 level in vitro. USP28-IN-3 enhance the sensitivity of colorectal cancer cells to Regorafenib.
CAS Number
2931509-14-5
UNSPSC
12352005
Target
Deubiquitinase
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/usp28-in-3.html
Purity
98.26
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CS(=O)(C1=CC=C(C(Cl)=C1)C(NC2=CC=C(C(C3=CC4=C(CNCC4)C=C3)=C2)Cl)=O)=O
Molecular Formula
C23H20Cl2N2O3S
Molecular Weight
475.39
References & Citations
[1]Zhou D, et al. Structure-based discovery of potent USP28 inhibitors derived from Vismodegib. Eur J Med Chem. 2023 Jun 5;254:115369.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Usp28-IN-3
CAS Number2931509-14-5
PubChem CID168355497
IUPAC Name2-chloro-N-[4-chloro-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)phenyl]-4-methylsulfonylbenzamide
Molecular FormulaC23H20Cl2N2O3S
Molecular Weight475.4
XLogP4.3
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity744
SMILES
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC4=C(CNCC4)C=C3)Cl
InChI
InChI=1S/C23H20Cl2N2O3S/c1-31(29,30)18-5-6-19(22(25)12-18)23(28)27-17-4-7-21(24)20(11-17)15-2-3-16-13-26-9-8-14(16)10-15/h2-7,10-12,26H,8-9,13H2,1H3,(H,27,28)
InChIKey
CSUMERAOZKVEGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Usp28-IN-3
CAS: 2931509-14-5
CID: 168355497
Formula: C23H20Cl2N2O3S
MW: 475.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight475.4
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass474.0571691
Monoisotopic Mass474.0571691
Topological Polar Surface Area83.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity744
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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