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Nrf2 activator-4

CAT: 1410-M35687-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M35687-02Size:2 mg
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Description
Nrf2 activator-4 is an Nrf2 activator that inhibits the production of reactive oxygen species in microglia for the treatment of fatty liver disease associated with metabolic dysfunction in humans.
CAS Number
2383016-68-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
468.9
Molecular Formula
C23H24ClF3N2O3
Notes
Research use only, not for human use.
Receptor
Reactive Oxygen Species | Nrf2

Chemical Information

Nrf2 activator-4
CAS Number2383016-68-8
PubChem CID155527528
IUPAC Name(E)-1-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one;hydrochloride
Molecular FormulaC23H24ClF3N2O3
Molecular Weight468.9
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity636
SMILES
CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CC=C3C(F)(F)F.Cl
InChI
InChI=1S/C23H23F3N2O3.ClH/c1-27-12-14-28(15-13-27)22(30)16-31-19-9-6-18(7-10-19)21(29)11-8-17-4-2-3-5-20(17)23(24,25)26;/h2-11H,12-16H2,1H3;1H/b11-8+;
InChIKey
MLBFDNAGDZEBHA-YGCVIUNWSA-N
Chemical Structure
2D Structure
2D structure of Nrf2 activator-4
CAS: 2383016-68-8
CID: 155527528
Formula: C23H24ClF3N2O3
MW: 468.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass468.1427548
Monoisotopic Mass468.1427548
Topological Polar Surface Area49.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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