Products for Research Use Only
RegisterLogin

JNJ-63533054

CAT: 0804-HY-19838-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-19838-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
JNJ-63533054 is a potent, selective and orally active GPR139 agonist with an EC50 of 16 nM for human GPR139 (hGPR139) . JNJ-63533054 shows selective for GPR139 over other GPCRs, ion channels, and transporters. JNJ-63533054 can cross the blood-brain barrier (BBB) [1][2].
CAS Number
1802326-66-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
GPR139
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/JNJ-63533054.html
Purity
99.80
Solubility
DMSO : ≥ 50 mg/mL
Smiles
O=C(NCC(N[C@H](C1=CC=CC=C1)C)=O)C2=CC=CC(Cl)=C2
Molecular Formula
C17H17ClN2O2
Molecular Weight
316.78
Precautions
H302, H315, H319
References & Citations
[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.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Jnj-63533054
CAS Number1802326-66-4
PubChem CID2548547
IUPAC Name3-chloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
Molecular FormulaC17H17ClN2O2
Molecular Weight316.8
XLogP3.1
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity383
SMILES
C[C@@H](C1=CC=CC=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H17ClN2O2/c1-12(13-6-3-2-4-7-13)20-16(21)11-19-17(22)14-8-5-9-15(18)10-14/h2-10,12H,11H2,1H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKey
MWDVCHRYCKXEBY-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Jnj-63533054
CAS: 1802326-66-4
CID: 2548547
Formula: C17H17ClN2O2
MW: 316.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.8
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass316.0978555
Monoisotopic Mass316.0978555
Topological Polar Surface Area58.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity383
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-172194JNJ-3738
HY-P991172JNJ-70218902
HY-113751-01JNJ-39393406
HY-132895JNJ-67569762
HY-118424-01JNJ-55511118
HY-110132-01JNJ-27141491
HY-19917-01JNJ-39220675
HY-123531JNJ 10329670
HY-148240-01JNJ-65355394
HY-111066-01JNJ-37822681

Alternative Products

CatalogName
MBS131356JNJ-63533054 (JNJ63533054; JNJ 63533054)
523108JNJ 63533054
bs-82716C-01JNJ-63533054
A15449-5JNJ 63533054 5mg
A15449-100JNJ 63533054 100mg
A15449-500JNJ 63533054 500mg

Popular Products