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MS102

CAT: 0013-GTR19274088-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19274088-01Size:50 mg
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Description
MS102 is an orally active inhibitor of ubiquitin-specific peptidase 2 (USP2) with an IC50 of 5.46 μM. It demonstrates effective antiviral activity against ACE2-dependent coronaviruses. MS102 significantly reduces the abundance of the V domain Ig suppressor of T cell activation (VISTA) protein both in vitro and in vivo. It is applicable in SARS-CoV-2 research and can be combined with anti-PD-1 immunotherapies to enhance antitumor immune responses.
CAS Number
3058587-77-9
Smiles
O=C (NC1=NC (=CS1) C=2C=CC (Br) =CC2) C3=CC (=CC=C3NS (=O) (=O) C4=CC=C (C=C4) C) C (F) (F) F
Molecular Formula
C24H17BrF3N3O3S2
Molecular Weight
596.44
Storage Conditions
-20°C
Notes
For research use only.

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...
View on PubChemRaw 3D data
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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