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R079

CAT: 0931-T87293-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T87293-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2115659-62-4
Target
Nrf2
Related Pathways
Immunology/Inflammation
Bioactivity
R079 (compound 17), a selective and orally active Nrf2 activator, enhances Nrf2 translocation activity (EC 50 = 32.41 μM) and can neutralize excess levels of reactive oxygen species by activating Nrf2. Additionally, R079 possesses anti-inflammatory properties and has applications in multiple sclerosis research [1].
Smiles
C(=C/S(=O)(=O)C1=CC=CC=C1)\N2C(=O)N(C)C=N2
Molecular Formula
C11H11N3O3S
Molecular Weight
265.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(E)-2-(benzenesulfonyl)ethenyl]-4-methyl-1,2,4-triazol-3-one
CAS Number2115659-62-4
PubChem CID130276405
IUPAC Name2-[(E)-2-(benzenesulfonyl)ethenyl]-4-methyl-1,2,4-triazol-3-one
Molecular FormulaC11H11N3O3S
Molecular Weight265.29
XLogP0.5
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity472
SMILES
CN1C=NN(C1=O)/C=C/S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3O3S/c1-13-9-12-14(11(13)15)7-8-18(16,17)10-5-3-2-4-6-10/h2-9H,1H3/b8-7+
InChIKey
CJXKQUHAYXQJFB-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of 2-[(E)-2-(benzenesulfonyl)ethenyl]-4-methyl-1,2,4-triazol-3-one
CAS: 2115659-62-4
CID: 130276405
Formula: C11H11N3O3S
MW: 265.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.29
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass265.05211239
Monoisotopic Mass265.05211239
Topological Polar Surface Area78.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity472
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19234698-01R079

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