CAS 1802326-66-4|JNJ 63533054

Introduction：Basic information about CAS 1802326-66-4|JNJ 63533054, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. JNJ 63533054 BiologicalActivity
3. Chemical & Physical Properties
4. Synonyms

Common Name	JNJ 63533054
CAS Number	1802326-66-4	Molecular Weight	316.782
Density	1.2±0.1 g/cm3	Boiling Point	559.7±45.0 °C at 760 mmHg
Molecular Formula	C₁₇H₁₇ClN₂O₂	Melting Point	/
MSDS	/	Flash Point	292.3±28.7 °C

Names

Name	3-Chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
Synonym	More Synonyms

JNJ 63533054 BiologicalActivity

Description	JNJ-63533054 is a potent and selective agonist of hGPR139 with an EC50 = 16 nM.IC50 value: 16 nM (EC50)Target: hGPR139in vitro: JNJ-63533054 is a selective small-molecule agonist. JNJ-63533054 specifically activates human GPR139 in the calcium mobilization (EC50 = 16 ± 6 nM) and GTPγS binding (EC50 = 17 ± 4 nM) assays. [2] JNJ-63533054 is found to be clean of any cross reactivity as judged by an external selectivity panel of 50 known GPCRs, ion channels, and transporters as well as our own internal whole cell lead generation biology selectivity panel.[1]in vivo: JNJ-63533054 is found to cross the blood-brain barrier and have good drug-like properties amenable for oral dosing in rat. JNJ-63533054 exhibits good stability in both human and rat microsomes and high solubility in aqueous media, and no DDI potential was found. [1] JNJ-63533054 also activates the rat and mouse GPR139 receptor with similar potency (rat EC50 = 63 ± 24 nM, mouse EC50 = 28 ± 7 nM). [2]
Related Catalog	Signaling Pathways >>GPCR/G Protein >>GPR139Research Areas >>Neurological Disease
References	[1]. Dvorak CA, et al. Identification and SAR of Glycine Benzamides as Potent Agonists for the GPR139 Receptor. ACS Med Chem Lett. 2015 Jul 20;6(9):1015-8. [2]. Liu C, et al. 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. 2015 Nov;88(5):911-25.

Description

JNJ-63533054 is a potent and selective agonist of hGPR139 with an EC50 = 16 nM.IC50 value: 16 nM (EC50)Target: hGPR139in vitro: JNJ-63533054 is a selective small-molecule agonist. JNJ-63533054 specifically activates human GPR139 in the calcium mobilization (EC50 = 16 ± 6 nM) and GTPγS binding (EC50 = 17 ± 4 nM) assays. [2] JNJ-63533054 is found to be clean of any cross reactivity as judged by an external selectivity panel of 50 known GPCRs, ion channels, and transporters as well as our own internal whole cell lead generation biology selectivity panel.[1]in vivo: JNJ-63533054 is found to cross the blood-brain barrier and have good drug-like properties amenable for oral dosing in rat. JNJ-63533054 exhibits good stability in both human and rat microsomes and high solubility in aqueous media, and no DDI potential was found. [1] JNJ-63533054 also activates the rat and mouse GPR139 receptor with similar potency (rat EC50 = 63 ± 24 nM, mouse EC50 = 28 ± 7 nM). [2]

Related Catalog

Signaling Pathways >>GPCR/G Protein >>GPR139Research Areas >>Neurological Disease

References

[1]. Dvorak CA, et al. Identification and SAR of Glycine Benzamides as Potent Agonists for the GPR139 Receptor. ACS Med Chem Lett. 2015 Jul 20;6(9):1015-8.

[2]. Liu C, et al. 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. 2015 Nov;88(5):911-25.

Chemical & Physical Properties

Density	1.2±0.1 g/cm3
Boiling Point	559.7±45.0 °C at 760 mmHg
Molecular Formula	C₁₇H₁₇ClN₂O₂
Molecular Weight	316.782
Flash Point	292.3±28.7 °C
Exact Mass	316.097870
LogP	3.13
Vapour Pressure	0.0±1.5 mmHg at 25°C
Index of Refraction	1.586
InChIKey	MWDVCHRYCKXEBY-LBPRGKRZSA-N
SMILES	CC(NC(=O)CNC(=O)c1cccc(Cl)c1)c1ccccc1
Storage condition	2-8℃

Synonyms

3-Chloro-N-(2-oxo-2-{[(1S)-1-phenylethyl]amino}ethyl)benzamide

Benzamide, 3-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-

JNJ-63533054

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