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URB 754

URB 754 structure

CAS No:
86672-58-4
Formula:
C16H14N2O2
Chemical Name:
URB 754
Synonyms:
4H-3,1-Benzoxazin-4-one,6-methyl-2-[(4-methylphenyl)amino]-;6-Methyl-2-[(4-methylphenyl)amino]-4H-3,1-benzoxazin-4-one;URB 754
Categories:
Organic Chemistry > Amides

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URB 754 Basic Attributes

Molecular Weight：

266.29

Exact Mass：

266.29

UNII：

7672NBP7ZF

DSSTox ID：

DTXSID10357239

Characteristics

PSA：

50.7 Å²

Density：

1.23±0.1 g/cm3

Melting Point：

230-233 °C @ Solvent: Acetone

Boiling Point：

434.0±48.0 °C(Predicted)

PKA：

3.76±0.20

Safety Information

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

URB 754

URB 754 Use and Manufacturing

URB754 is a potent, noncompetitive inhibitor of MGL, exhibiting an IC50 of 200 nM for the recombinant rat brain enzyme. It inhibits rat brain fatty acyl amide hydrolase (FAAH) less effectively with an IC50 of 32 and binds weakly to the rat CB1 r

Computed Properties

Molecular Weight:266.29
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:266.105527694
Monoisotopic Mass:266.105527694
Topological Polar Surface Area:50.7
Heavy Atom Count:20
Complexity:399
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes