ChemicalBook CAS DataBase List 551909-15-0

551909-15-0

Name	Urea, N-(4-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-
CAS	551909-15-0
Molecular Formula	C15H14Cl2N2O
Molecular Weight	309.19
MOL File	551909-15-0.mol

Chemical Properties

Boiling point	433.1±45.0 °C(Predicted)
density	1.330±0.06 g/cm3(Predicted)
storage temp.	4°C, protect from light
solubility	DMSO : 100 mg/mL (323.43 mM; Need ultrasonic)
form	Solid
pka	13.54±0.46(Predicted)
color	White to off-white
InChI	1S/C15H14Cl2N2O/c16-12-4-6-14(7-5-12)19-15(20)18-9-8-11-2-1-3-13(17)10-11/h1-7,10H,8-9H2,(H2,18,19,20)
InChIKey	PPKIPROVSKBYAT-UHFFFAOYSA-N
SMILES	O=C(NCCC1=CC(Cl)=CC=C1)NC2=CC=C(Cl)C=C2

Safety Data

WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

Hazard Information

Uses

Biological Activity

RTICBM-189 is a potent, brain-penetrant allosteric modulator of the cannabinoid type-1 (CB1) receptor with a pIC50 of 7.54 in Ca2+ mobilization assay. RTICBM-189 has pIC50s of 5.29 and 6.25 for hCB1 and mCB1, respectively. RTICBM-189 significantly and selectively attenuates the reinstatement of the cocaine-seeking behavior in rats[1]. RTICBM-189 (10 mg/kg; i.p.) significantly and selectively attenuates reinstatement of the cocaine-seeking behavior in rats[1].RTICBM-189 (10 mg/kg; i.p.) rapidly absorbs into systemic circulation, with peak plasma concentration (Cmax,plasma=288.4 ng/mL) observed at tmax,plasma of 0.4 h post-dose. Peak brain levels are also reached at tmax,brain of 0.4 h with a significantly higher Cmax,brain value of 594.6 ng/mL in the brain[1].

in vivo

RTICBM-189 (10 mg/kg; i.p.) rapidly absorbs into systemic circulation, with peak plasma concentration (C_max,plasma=288.4 ng/mL) observed at t_max,plasma of 0.4 h post-dose. Peak brain levels are also reached at t_max,brain of 0.4 h with a significantly higher C_max,brain value of 594.6 ng/mL in the brain^[1].

Animal Model:	Adult male Sprague-Dawley rats weighing 280-300 g^[1]
Dosage:	10 mg/kg
Administration:	IP
Result:	Significantly attenuated drug-induced reinstatement of the cocaine-seeking behavior.

Animal Model:	Male Sprague-Dawley rats weighing 258-277 g^[1]
Dosage:	10 mg/kg (Pharmacokinetic Analysis)
Administration:	IP
Result:	Plasma: C_max (288.4 ng/mL), t_max (0.4 hours), CL_F (240.6 mL/min/kg), AUC_inf (715.2 ng/mL × h), half-life t_1/2 (9.9 hours). Brain: C_max (594.6 ng/mL), t_max (0.4 hours), CL_F (120.7 mL/min/kg), AUC_inf (1438.2 ng/mL × h).

IC 50

CB1: 7.54 (pIC₅₀); hCB₁: 5.29 (pIC₅₀); mCB₁: 6.25 (pIC₅₀)

References

[1]. Nguyen T, et al. Development of 3-(4-Chlorophenyl)-1-(phenethyl)urea Analogues as Allosteric Modulators of the Cannabinoid Type-1 Receptor: RTICBM-189 is Brain Penetrant and Attenuates Reinstatement of Cocaine-Seeking Behavior [published online ahead of print, 2021 Dec 20]. J Med Chem. 2021;10.1021/acs.jmedchem.1c01432.

Spectrum Detail

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