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NXPZ-2

CAT: 0931-T64214-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T64214-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2254492-08-3
Target
Nrf2, Others
Related Pathways
Others, Immunology/Inflammation
Bioactivity
NXPZ-2 is an orally active Keap1-Nrf2 protein-protein interaction (PPI) inhibitor (Ki: 95 nM, EC50: 120 and 170 nM) . NXPZ-2 dose-dependently attenuates Aβ[1-42]-induced cognitive disturbances, enhances neuronal number and function, and improves pathological alterations in the brain of Alzheimer's disease (AD) mice. NXPZ-2 has potential for studies of Keap1-Nrf2 PPI inhibitors and AD-related disorders.
Smiles
N(S(=O)(=O)C1=CC=C(OC)C=C1)(CC(N)=O)C=2C3=C(C(N(S(=O)(=O)C4=CC=C(N)C=C4)CC(N)=O)=CC2)C=CC=C3
Molecular Formula
C27H27N5O7S2
Molecular Weight
597.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(4-Aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide
CAS Number2254492-08-3
PubChem CID164513524
IUPAC Name2-[[4-[(2-amino-2-oxoethyl)-(4-methoxyphenyl)sulfonylamino]naphthalen-1-yl]-(4-aminophenyl)sulfonylamino]acetamide
Molecular FormulaC27H27N5O7S2
Molecular Weight597.7
XLogP1.8
Topological Polar Surface Area213
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity1120
SMILES
COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N)C2=CC=C(C3=CC=CC=C32)N(CC(=O)N)S(=O)(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C27H27N5O7S2/c1-39-19-8-12-21(13-9-19)41(37,38)32(17-27(30)34)25-15-14-24(22-4-2-3-5-23(22)25)31(16-26(29)33)40(35,36)20-10-6-18(28)7-11-20/h2-15H,16-17,28H2,1H3,(H2,29,33)(H2,30,34)
InChIKey
DFIZGWXPFCOCFG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(4-Aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide
CAS: 2254492-08-3
CID: 164513524
Formula: C27H27N5O7S2
MW: 597.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.7
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass597.13519056
Monoisotopic Mass597.13519056
Topological Polar Surface Area213 Ų
Heavy Atom Count41
Formal Charge0
Complexity1120
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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290343-012,2,2-Trifluoroethyl 2-hydroxy-5- (2,2,2-trifluoroethoxy) benzoate
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