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MAGL-IN-22

CAT: 0804-HY-175270Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-175270Size:1 Each
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Description
MAGL-IN-22 (Compound 40) is a reversible, competitive, selective and BBB-penetrable MAGL inhibitor with an IC50 of 0.34 μM for hMAGL. MAGL-IN-22 has significant antioxidant and anti-inflammatory activity, and activates the Nrf2 pathway and significantly inhibits NFκB-mediated inflammation, without inducing cytotoxic effects. MAGL-IN-22 can be used for neurodegenerative diseases, chronic pain and cancers research[1].
CAS Number
2720674-71-3
UNSPSC
12352005
Target
Keap1-Nrf2; MAGL; NF-κB
Related Pathways
Metabolic Enzyme/Protease; NF-κB
Field of Research
Cancer; Inflammation/Immunology; Neurological Disease
Smiles
O=C(CCCC1=CC=CC=C1)NC2=C(C=CC(C3=CC(F)=C(C=C3)O)=C2)O
Molecular Formula
C22H20FNO3
Molecular Weight
365.40
References & Citations
[1]Bononi G, et al. Discovery of reversible monoacylglycerol lipase (MAGL) inhibitors based on ortho-hydroxyanilide scaffold. Bioorg Chem. 2025 Aug;163:108698.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Magl-IN-22
CAS Number2720674-71-3
PubChem CID166777863
IUPAC NameN-[5-(3-fluoro-4-hydroxyphenyl)-2-hydroxyphenyl]-4-phenylbutanamide
Molecular FormulaC22H20FNO3
Molecular Weight365.4
XLogP4.4
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity468
SMILES
C1=CC=C(C=C1)CCCC(=O)NC2=C(C=CC(=C2)C3=CC(=C(C=C3)O)F)O
InChI
InChI=1S/C22H20FNO3/c23-18-13-16(9-11-20(18)25)17-10-12-21(26)19(14-17)24-22(27)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-14,25-26H,4,7-8H2,(H,24,27)
InChIKey
XVJRJACAOSBTGJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Magl-IN-22
CAS: 2720674-71-3
CID: 166777863
Formula: C22H20FNO3
MW: 365.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight365.4
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass365.14272166
Monoisotopic Mass365.14272166
Topological Polar Surface Area69.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity468
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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