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MAGL-IN-222

CAT: 0931-T206357-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T206357-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
877804-65-4
Target
Lipase
Related Pathways
Metabolism
Bioactivity
MAGL-IN-222 (Compound ZQ-7) is a covalent inhibitor that targets monoacylglycerol lipase (MAGL), with an IC50 of 42.31 μM. It reduces the breakdown of 2-arachidonoylglycerol (2-AG), enhancing intracellular 2-AG levels, thereby inhibiting the proliferation and migration of MDA-MB-231 breast cancer cells. MAGL-IN-222 is applicable in breast cancer research and related diseases.
Smiles
N#CC=1C(=O)N(C(=O)C(=CC2=CC=C(C=C2)N(CC)CC)C1C)C3CCS(=O)(=O)C3
Molecular Formula
C22H25N3O4S
Molecular Weight
427.517
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-[[4-(Diethylamino)phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
CAS Number877804-65-4
PubChem CID3783706
IUPAC Name5-[[4-(diethylamino)phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
Molecular FormulaC22H25N3O4S
Molecular Weight427.5
XLogP2.1
Topological Polar Surface Area107
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity923
SMILES
CCN(CC)C1=CC=C(C=C1)C=C2C(=C(C(=O)N(C2=O)C3CCS(=O)(=O)C3)C#N)C
InChI
InChI=1S/C22H25N3O4S/c1-4-24(5-2)17-8-6-16(7-9-17)12-19-15(3)20(13-23)22(27)25(21(19)26)18-10-11-30(28,29)14-18/h6-9,12,18H,4-5,10-11,14H2,1-3H3
InChIKey
UJQZZXDDELIDKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[[4-(Diethylamino)phenyl]methylidene]-1-(1,1-dioxothiolan-3-yl)-4-methyl-2,6-dioxopyridine-3-carbonitrile
CAS: 877804-65-4
CID: 3783706
Formula: C22H25N3O4S
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass427.15657746
Monoisotopic Mass427.15657746
Topological Polar Surface Area107 Ų
Heavy Atom Count30
Formal Charge0
Complexity923
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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