3′-(Aminocarbonyl)[1,1′-biphenyl]-3-yl N-cyclohexylcarbamate
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![3′-(Aminocarbonyl)[1,1′-biphenyl]-3-yl N-cyclohexylcarbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/8a28754cca84423daeb535698510ad6d.png "3′-(Aminocarbonyl)[1,1′-biphenyl]-3-yl N-cyclohexylcarbamate")
3′-(Aminocarbonyl)[1,1′-biphenyl]-3-yl N-cyclohexylcarbamate
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CAS No:
546141-08-6
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Formula:
C20H22N2O3
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Chemical Name:
3′-(Aminocarbonyl)[1,1′-biphenyl]-3-yl N-cyclohexylcarbamate
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Synonyms:
Carbamic acid,N-cyclohexyl-,3′-(aminocarbonyl)[1,1′-biphenyl]-3-yl ester;Carbamic acid,cyclohexyl-,3′-(aminocarbonyl)[1,1′-biphenyl]-3-yl ester;3′-(Aminocarbonyl)[1,1′-biphenyl]-3-yl N-cyclohexylcarbamate;URB 597;KDS 4103;Org 231295;[3-(3-Carbamoylphenyl)phenyl] N-cyclohexylcarbamate;3′-Carbamoyl-[1,1′-biphenyl]-3-yl cyclohexylcarbamate
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CAS No:
Description
URB597 is a potent, orally bioavailable FAAH inhibitor with IC50 of 4.6 nM, with no activity on other cannabinoid-related targets.IC50 value: 4.6 nM [1]Target: FAAH in vitro: URB597 binds in the hydrophobic pocket and catalytic core of FAAH that connects the active site residues to the membrane surface of FAAH [1]. URB597 reduces the expression of the LPS-induced enzymes cyclo-oxygenase 2 (COX-2) and inducible nitric oxide synthase (iNOS; NOS2) in primary rat microglial cell, with a conc
3′-(Aminocarbonyl)[1,1′-biphenyl]-3-yl N-cyclohexylcarbamate Basic Attributes
338.4
338.40
1312995-182-4
PX47LB88FO
DTXSID70203046
2924299090
Characteristics
81.4
3.51
white powder
1.2±0.1 g/cm3
533.2±50.0 °C at 760 mmHg
276.3±30.1 °C
1.618
DMSO: ~14 mg/mL, soluble
2-8°C
Safety Information
UN 3077 9/PG 3
3
50/53
22-24/25-60-61
N
P273-P305 + P351 + P338-P501
H319-H410
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P273, P280, P305+P351+P338, P337+P313, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:338.4
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:338.16304257
Monoisotopic Mass:338.16304257
Topological Polar Surface Area:81.4
Heavy Atom Count:25
Complexity:462
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3′-(Aminocarbonyl)[1,1′-biphenyl]-3-yl N-cyclohexylcarbamate
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