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MS102

CAT: 0804-HY-179630Size: 1 EachDry Ice: NoHazardous: No
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Description
MS102 is an orally active ubiquitin specific peptidase 2 (USP2) inhibitor with an IC50 of 5.46 μM. MS102 has viable antiviral activity against ACE2-dependent coronaviruses. MS102 significantly reduces V-domain Ig suppressor of T cell activation (VISTA) protein abundance in vitro and in vivo. MS102 can be used for the study of SARS-CoV-2. MS102 can be used in combination with anti-PD-1 immunotherapy to enhance the anti-tumor immune response[1][2].
CAS Number
3058587-77-9
UNSPSC
12352005
Target
Deubiquitinase; SARS-CoV; VISTA
Related Pathways
Anti-infection; Cell Cycle/DNA Damage
Applications
COVID-19-anti-virus
Field of Research
Cancer; Infection
Smiles
O=C(NC1=NC(C2=CC=C(Br)C=C2)=CS1)C3=CC(C(F)(F)F)=CC=C3NS(=O)(C4=CC=C(C)C=C4)=O
Molecular Formula
C24H17BrF3N3O3S2
Molecular Weight
596.44
References & Citations
[1]Dang F, et al. USP2 inhibition prevents infection with ACE2-dependent coronaviruses in vitro and is protective against SARS-CoV-2 in mice. Sci Transl Med. 2023;15 (725) :eadh7668.|[2]Li Chen, et al. Targeted destruction of VISTA boosts anti-tumor immunotherapy. Cell Res. 2025 Dec;35 (12) :987-1002. 
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
USP2

Chemical Information

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylbenzenesulfonamido)-5-(trifluoromethyl)benzamide
CAS Number3058587-77-9
PubChem CID171037435
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)sulfonylamino]-5-(trifluoromethyl)benzamide
Molecular FormulaC24H17BrF3N3O3S2
Molecular Weight596.4
XLogP6.8
Topological Polar Surface Area125
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity857
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(F)(F)F)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)Br
InChI
InChI=1S/C24H17BrF3N3O3S2/c1-14-2-9-18(10-3-14)36(33,34)31-20-11-6-16(24(26,27)28)12-19(20)22(32)30-23-29-21(13-35-23)15-4-7-17(25)8-5-15/h2-13,31H,1H3,(H,29,30,32)
InChIKey
KLWZKWRHGMGJRU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methylbenzenesulfonamido)-5-(trifluoromethyl)benzamide
CAS: 3058587-77-9
CID: 171037435
Formula: C24H17BrF3N3O3S2
MW: 596.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight596.4
XLogP36.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass594.98468
Monoisotopic Mass594.98468
Topological Polar Surface Area125 Ų
Heavy Atom Count36
Formal Charge0
Complexity857
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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