| Identification | Back Directory | [Name]
JNJ 63533054 | [CAS]
1802326-66-4 | [Synonyms]
CS-2223
JNJ 63533054
JNJ-63533054 (JNJ63533054
JNJ-63533054 >=98% (HPLC)
3-Chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
Benzamide, 3-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]- | [Molecular Formula]
C17H17ClN2O2 | [MDL Number]
MFCD29924732 | [MOL File]
1802326-66-4.mol | [Molecular Weight]
316.78 |
| Chemical Properties | Back Directory | [Boiling point ]
559.7±45.0 °C(Predicted) | [density ]
1.224±0.06 g/cm3(Predicted) | [storage temp. ]
room temp | [solubility ]
Soluble in DMSO (up to 35 mg/ml). | [form ]
powder | [pka]
12.77±0.46(Predicted) | [color ]
white to beige | [optical activity]
[α]/D -89 to -99°, c = 1 in ethanol | [Stability:]
Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20° for up to 2 months. |
| Hazard Information | Back Directory | [Description]
JNJ-63533054 (1802326-66-4) is a potent and selective brain-penetrant GPR139 agonist (EC50=16 nM) an orphan G-protein-coupled receptor expressed in the CNS.1?Tritium-labeled JNJ-63533054 binds to cell membranes expressing GPR139 and can be displaced by putative endogenous ligands.2?Decreases compulsive-like alcohol drinking and hyperalgesia in alcohol-dependent rodents.3?Suppresses morphine intake in a mouse self-administration model.4 | [Uses]
JNJ 63533054 is a potent and selective agonist of hGPR139 with an EC50 = 16 nM. | [Biochem/physiol Actions]
JNJ-63533054 is a potent and selective agonist of the orphan receptor hGPR139, a GPCR receptor expressed in the brain in circumventricular regions of the habenula and septum. JNJ-63533054 has an EC50 value of 16 nM, crosses the blood-brain barrier, and is orally available. | [in vivo]
JNJ-63533054 (3-30 mg/kg; oral administration; once; SD rats) treatment induces a dose-dependent reduction in locomotor activity in the first hour[1].
?
The pharmacokinetics of JNJ-63533054 (Compound 7c; 1 mg/kg iv; 5 mg/kg po) in rat is examined. The IV clearance is 53 mL/min/kg,? the Cmax is 317 ng/mL (~1 μM), the t1/2 is 2.5 hours,? and JNJ-63533054 is able to cross the blood-brain barrier (BBB) with a brain to plasma ratio (b/p) of 1.2[2]. | Animal Model: | Male Sprague-Dawley rats (350-450 g)[1] | | Dosage: | 3 mg/kg, 10 mg/kg, and 30 mg/kg | | Administration: | Oral administration; once | | Result: | Induced a dose-dependent reduction in locomotor activity in the first hour.
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| [storage]
Store at RT | [References]
1) Dvorak?et al.?(2015),?Identification and SAR of Glycine Benzamides as Potent Agonists for the GPR139 Receptor;?ACS Med. Chem. Lett.,?6?1015
2) Liu?et al. (2015),?GPR139, an Orphan Receptor Highly Enriched in the Habenula and Septum, Is Activated by the Essential Amino Acids L-Tryptophan and L-Phenylalanine; Mol. Pharmacol.,?88?911
3) Kononoff?et al.?(2018),?Systemic and Intra-Habenular Activation of the Orphan G Protein-Coupled Receptor GPR139 Decreases Compulsive-Like Alcohol Drinking and Hyperalgesia in Alcohol-Dependent Rats;?eNeuro,?5?ENEURO 0153-18 2018
4) Wang?et al.?(2019),?Genetic behavioral screen identifies an orphan anti-opioid system; Science,?365?1267 |
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Sigma-Aldrich
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