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ML-​226

CAT: 0013-GTR19166945-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19166945-03Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML226 is a potent and selective small-molecule inhibitor of the α/β-hydrolase domain-containing protein 11 (ABHD11) . It demonstrates inhibitory activity in both in vitro and cellular (in situ) assays, serving as a valuable chemical probe for investigating ABHD11's function in metabolic and neurological research fields.
CAS Number
2055172-43-3
Product Name Alternative
ABHD11, Monoacylglycerol lipase, MAGL, Inhibitor, ML ​226, ML 226, ML226, ML-226, ML​226, ML-?226, inhibit
Field of Research
Metabolism Research
Purity
99.61% (May vary between batches)
Solubility
DMSO:25 mg/mL (64.02 mM)
Smiles
C (O) (C1=NN (C (=O) N2C (CC) CCCC2) N=C1) (C3=CC=CC=C3) C4=CC=CC=C4
Molecular Formula
C23H26N4O2
Molecular Weight
390.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2-Ethylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
CAS Number2055172-43-3
PubChem CID56593112
IUPAC Name(2-ethylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
Molecular FormulaC23H26N4O2
Molecular Weight390.5
XLogP4.3
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity527
SMILES
CCC1CCCCN1C(=O)N2N=CC(=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C23H26N4O2/c1-2-20-15-9-10-16-26(20)22(28)27-24-17-21(25-27)23(29,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,17,20,29H,2,9-10,15-16H2,1H3
InChIKey
DGRUIUDIVFCWMX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Ethylpiperidin-1-yl)-[4-[hydroxy(diphenyl)methyl]triazol-2-yl]methanone
CAS: 2055172-43-3
CID: 56593112
Formula: C23H26N4O2
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass390.20557608
Monoisotopic Mass390.20557608
Topological Polar Surface Area71.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity527
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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