URB602

Iupac Name：cyclohexyl N-(3-phenylphenyl)carbamate

Molecular Weight：295.38

Modify Date.: 2022-11-27 09:26

Introduction: URB602 is a selective inhibitor of MGL, exhibiting an IC50 of 28 for the rat brain enzyme. It does not inhibit fatty acid amide hydrolase (FAAH) at concentrations up to 100 , or other lipid metabolizing enzymes such as diacylglycerol lipase or View more+

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1. Names and Identifiers

1.1 Name: URB602
1.2 Synonyms: Biphenyl-3-yl Carbamic Acid, Cyclohexyl Ester Biphenyl-3-yl Carbamic Acid,Cyclohexyl Ester Carbamic acid, [1,1′-biphenyl]-3-yl-, cyclohexyl ester Carbamic acid, N-[1,1′-biphenyl]-3-yl-, cyclohexyl ester Carbamic acid, N-[1,1'-biphenyl]-3-yl-, cyclohexyl ester Cyclohexyl [1,1'-biphenyl]-3-ylcarbaMate Cyclohexyl 3-biphenylylcarbamate cyclohexyl biphenyl-3-ylcarbaMate cyclohexyl ester Monoacylglycerol Lipase Inhibitor, URB602 Monoacylglycerol Lipase Inhibitor,URB602 N-[1,1'-Biphenyl]-3-yl- N-Biphenyl-3-ylcarbamic acid,cyclohexyl ester URB 602 URB-602

1.3 CAS No.: 565460-15-3

1.4 CID: 10979337

1.5 Molecular Formula: C19H21NO2 (isomer)

1.6 Inchi: InChI=1S/C19H21NO2/c21-19(22-18-12-5-2-6-13-18)20-17-11-7-10-16(14-17)15-8-3-1-4-9-15/h1,3-4,7-11,14,18H,2,5-6,12-13H2,(H,20,21)

1.7 InChkey: HHVUFQYJOSFTEH-UHFFFAOYSA-N

1.8 Canonical Smiles: C1CCC(CC1)OC(=O)NC2=CC=CC(=C2)C3=CC=CC=C3

1.9 Isomers Smiles: C1CCC(CC1)OC(=O)NC2=CC=CC(=C2)C3=CC=CC=C3

2. Properties

2.1 Density: 1.149

2.1 Melting point: 122-123°C

2.1 Boiling point: 416.611°C at 760 mmHg

2.1 Refractive index: 1.595

2.1 Flash Point: 205.759°C

2.1 PSA: 38.33000

2.1 logP: 5.30780

2.1 Solubility: Insuluble (3.0E-3 g/L) (25 oC),

2.2 Appearance: off-white solid

2.3 Chemical Properties: Off-White Solid

2.4 Color/Form: white to off-white

2.5 Water Solubility: DMSO: >10mg/mL

3. Use and Manufacturing

3.1 Usage: URB602 is a selective inhibitor of MGL, exhibiting an IC50 of 28 for the rat brain enzyme. It does not inhibit fatty acid amide hydrolase (FAAH) at concentrations up to 100 , or other lipid metabolizing enzymes such as diacylglycerol lipase or

4. Safety and Handling

4.1 WGK Germany: 3

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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6. Other Information

6.0 Mesh Entry Terms: URB602

7. Computational chemical data

Molecular Weight: 295.38g/mol
Molecular Formula: C₁₉H₂₁NO₂
Compound Is Canonicalized: True
XLogP3-AA: 4.9
Exact Mass: 295.157228913
Monoisotopic Mass: 295.157228913
Complexity: 345
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 38.3
Heavy Atom Count: 22
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB6MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAAABQAAAHgAQAAAADByhmAIwyILABACIAiRCWACCAAAhAgAIiAAAZIkIICLAkZGMIAhklABIyAeQwMAOgAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

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