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ML-​226

CAT: 0804-HY-129121-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-129121-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML226 is a potent α/β hydrolase domain-containing protein 11 (ABHD11) inhibitor in vitro and in situ with IC50s of 15 and 0.68 nM, respectively[1].
CAS Number
2055172-43-3
UNSPSC
12352005
Target
MAGL
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ml-226.html
Concentration
10mM
Purity
98.76
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N1C(CC)CCCC1)N2N=CC(C(C3=CC=CC=C3)(O)C4=CC=CC=C4)=N2
Molecular Formula
C23H26N4O2
Molecular Weight
390.48
References & Citations
[1]Hsu KL, et al. Optimization and characterization of triazole urea inhibitors for abhydrolase domain containing protein 6 (ABHD6) . 2012 Apr 12 [updated 2013 Mar 14]. In: Probe Reports from the NIH Molecular Libraries Program [Internet]. Bethesda (MD) : National Center for Biotechnology Information (US) ; 2010–.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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