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URB754

CAT: 0931-T37374-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T37374-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
86672-58-4
Target
Others, Lipase
Related Pathways
Others, Metabolism
Bioactivity
URB754 is a potent and noncompetitive inhibitor of monoacylglycerol lipase (MAGL), exhibiting an IC50 value of 200 nM for the recombinant rat brain enzyme. However, it does not inhibit human recombinant, rat brain, or mouse brain MAGL at concentrations up to 100 μM. There is evidence that the MAGL inhibitory activity of URB754 may be attributed to the impurity bis (methylthio) mercurane (IC50 = 11.9 nM for rat recombinant MAGL) that is found in commercial preparations. URB754 inhibits rat brain fatty acyl amide hydrolase (FAAH) with an IC50 value of 32 μM and binds weakly to the rat central cannabinoid (CB1) receptor with an IC50 value of 3.8 μM. It does not inhibit COX-1 or COX-2 at concentrations up to 100 μM. Inhibition of MAGL hydrolysis of 2-arachidonoyl glycerol (2-AG) is associated with enhanced stress-induced analgesia and may represent a novel drug target in pain and stress management.
Smiles
Cc1ccc(Nc2nc3ccc(C)cc3c(=O)o2)cc1
Molecular Formula
C16H14N2O2
Molecular Weight
266.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Urb 754

structure in first source

CAS Number86672-58-4
PubChem CID848487
IUPAC Name6-methyl-2-(4-methylanilino)-3,1-benzoxazin-4-one
Molecular FormulaC16H14N2O2
Molecular Weight266.29
XLogP3.4
Topological Polar Surface Area50.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity399
SMILES
CC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C)C(=O)O2
InChI
InChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)17-16-18-14-8-5-11(2)9-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18)
InChIKey
GFWNGVKCDGYFKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Urb 754
CAS: 86672-58-4
CID: 848487
Formula: C16H14N2O2
MW: 266.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.29
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass266.105527694
Monoisotopic Mass266.105527694
Topological Polar Surface Area50.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity399
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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CatalogName
T69122-01URB524

Alternative Products

CatalogName
TRC-U822000-25MGURB754
A11095-10URB754 10mg
A11095-100URB754 100mg
A11095-50URB754 50mg
A11095-5URB754 5mg
P1786-10URB754 (6-Methyl-2-[ (4-methylphenyl) amino]-4H-3,1-benzoxazine-4-one)
MBS6028842-01URB754 (6-Methyl-2-[(4-methylphenyl)amino]-4H-3,1-benzoxazine-4-one)

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