| Identification | Back Directory | [Name]
Methanone, [3-fluoro-2-(2-pyrimidinyl)phenyl][(1S,2R,4R)-2-[[5-(trifluoromethyl)-2-pyrazinyl]amino]-7-azabicyclo[2.2.1]hept-7-yl]- | [CAS]
1628843-99-1 | [Synonyms]
JNJ-54717793
Methanone, [3-fluoro-2-(2-pyrimidinyl)phenyl][(1S,2R,4R)-2-[[5-(trifluoromethyl)-2-pyrazinyl]amino]-7-azabicyclo[2.2.1]hept-7-yl]- | [Molecular Formula]
C22H18F4N6O | [MOL File]
1628843-99-1.mol | [Molecular Weight]
458.41 |
| Chemical Properties | Back Directory | [Boiling point ]
558.6±50.0 °C(Predicted) | [density ]
1.459±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 240 mg/mL (523.55 mM; Need ultrasonic) | [form ]
Solid | [pka]
1.35±0.10(Predicted) | [color ]
Off-white to pink |
| Hazard Information | Back Directory | [Uses]
JNJ-54717793, as a brain penetrant, is an orally active, selective and high affinity orexin-1 receptor (OX1R) antagonist (plasma EC50=85 ng/mL). The Ki values of JNJ-54717793 for hOX1R (human OX1R) and hOX2R are 16 nM and 700 nM, respectively. JNJ-54717793 is a potent compound of anxiety disorders[1][2]. | [Biological Activity]
JNJ-54717793, as a brain penetrant, is an orally active, selective and high affinity orexin-1 receptor (OX1R) antagonist (plasma EC50=85 ng/mL). The Ki values of JNJ-54717793 for hOX1R (human OX1R) and hOX2R are 16 nM and 700 nM, respectively. JNJ-54717793 is a potent compound of anxiety disorders[1][2].
JNJ-5471779 (30 mg/kg; p.o.; 6 hours) significantly reduces the latency for rapid eye movement (REM) sleep and prolongs the time spent in REM sleep[2].JNJ-5471779 (3~30 mg/kg; p.o.) attenuates bradycardia responses[2].JNJ-5471779 (5mg/kg; p.o.) shows low clearance[1]. | [in vivo]
JNJ-5471779 (30 mg/kg; p.o.; 6 hours) significantly reduces the latency for rapid eye movement (REM) sleep and prolongs the time spent in REM sleep[2].
JNJ-5471779 (3~30 mg/kg; p.o.) attenuates bradycardia responses[2].
JNJ-5471779 (5mg/kg; p.o.) shows low clearance[1]. | Animal Model: | OX2R KO mice[2] | | Dosage: | 30 mg/kg | | Administration: | P.o. | | Result: | Significantly reduced the latency for rapid eye movement (REM) sleep and prolonged the time spent in REM sleep. |
| Animal Model: | Rat[2] | | Dosage: | 3~30 mg/kg | | Administration: | P.o. | | Result: | Attenuated bradycardia responses. |
| Animal Model: | Mouse[1] | | Dosage: | 5.0 mg/kg (Pharmacokinetic Analysis) | | Administration: | P.o. | | Result: | Clearance was found to be low. |
| [IC 50]
human OX1R: 16 nM (Ki); human OX2R: 700 nM (Ki); OX1 Receptor: 85 ng/mL (EC50) | [storage]
Store at -20°C | [References]
[1]. Préville C, et al. Substituted Azabicyclo[2.2.1]heptanes as Selective Orexin-1 Antagonists: Discovery of JNJ-54717793. ACS Med Chem Lett. 2020;11(10):2002-2009. Published 2020 Apr 27. [2]. Bonaventure P, et al. Evaluation of JNJ-54717793 a Novel Brain Penetrant Selective Orexin 1 Receptor Antagonist in Two Rat Models of Panic Attack Provocation. Front Pharmacol. 2017;8:357. Published 2017 Jun 9. |
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