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Keap1-Nrf2-IN-11

CAT: 0013-GTR19212608-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212608-01Size:25 mg
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Description
Keap1-Nrf2-IN-11 (Compound 6k) is a potent, high-affinity Keap1-Nrf2 inhibitor (KD = 0.21 nM) that promotes Nrf2 nuclear translocation to suppress ROS, NO, and TNF-α production. This mechanism supports its application in cellular and animal models for studying inflammatory and oxidative stress-related pathways.
CAS Number
2796292-75-4
Field of Research
Cancer Biology, Immunology & Inflammation, Signal Transduction
Smiles
CCN1CCN (CC1) CCC (=O) NC2=CC=C (C=C2) S (=O) (=O) N (CC (=O) N) C3=CC=C (C4=CC=CC=C43) N (CC (=O) N) S (=O) (=O) C5=CC=C (C=C5) OC
Molecular Formula
C36H43N7O8S2
Molecular Weight
765.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Keap1-Nrf2-IN-11
CAS Number2796292-75-4
PubChem CID164517143
IUPAC NameN-[4-[(2-amino-2-oxoethyl)-[4-[(2-amino-2-oxoethyl)-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]sulfamoyl]phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
Molecular FormulaC36H43N7O8S2
Molecular Weight765.9
XLogP1.8
Topological Polar Surface Area223
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count53
Formal Charge0
Complexity1450
SMILES
CCN1CCN(CC1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CC(=O)N)C3=CC=C(C4=CC=CC=C43)N(CC(=O)N)S(=O)(=O)C5=CC=C(C=C5)OC
InChI
InChI=1S/C36H43N7O8S2/c1-3-40-20-22-41(23-21-40)19-18-36(46)39-26-8-12-28(13-9-26)52(47,48)42(24-34(37)44)32-16-17-33(31-7-5-4-6-30(31)32)43(25-35(38)45)53(49,50)29-14-10-27(51-2)11-15-29/h4-17H,3,18-25H2,1-2H3,(H2,37,44)(H2,38,45)(H,39,46)
InChIKey
ZELGLHRMBBOISG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Keap1-Nrf2-IN-11
CAS: 2796292-75-4
CID: 164517143
Formula: C36H43N7O8S2
MW: 765.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight765.9
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass765.26145370
Monoisotopic Mass765.26145370
Topological Polar Surface Area223 Ų
Heavy Atom Count53
Formal Charge0
Complexity1450
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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