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MIND4-17

CAT: 0931-T69401-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T69401-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
345989-24-4
Target
Nrf2, Others
Related Pathways
Immunology/Inflammation, Others
Bioactivity
MIND4-17, a potent NRF2 activator, covalently modifies the C151 residue of Keap1, disrupting the Keap1-Nrf2 association. This action leads to the stabilization and nuclear translocation of the Nrf2 protein, consequently exerting potent antioxidant activity.
Smiles
S(C=1N(C(COC2=CC=CC=C2)=NN1)C3=CC=CC=C3)C4=CC=C(N(=O)=O)C=N4
Molecular Formula
C20H15N5O3S
Molecular Weight
405.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Nitro-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine

MIND4-17 is an organic molecular entity.

CAS Number345989-24-4
PubChem CID1327659
IUPAC Name5-nitro-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine
Molecular FormulaC20H15N5O3S
Molecular Weight405.4
XLogP4.1
Topological Polar Surface Area124
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity525
SMILES
C1=CC=C(C=C1)N2C(=NN=C2SC3=NC=C(C=C3)[N+](=O)[O-])COC4=CC=CC=C4
InChI
InChI=1S/C20H15N5O3S/c26-25(27)16-11-12-19(21-13-16)29-20-23-22-18(14-28-17-9-5-2-6-10-17)24(20)15-7-3-1-4-8-15/h1-13H,14H2
InChIKey
OZUBDKIROJPQGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Nitro-2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pyridine
CAS: 345989-24-4
CID: 1327659
Formula: C20H15N5O3S
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight405.4
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass405.08956053
Monoisotopic Mass405.08956053
Topological Polar Surface Area124 Ų
Heavy Atom Count29
Formal Charge0
Complexity525
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