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JNJ-31020028

CAT: 0804-HY-14450-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14450-01Size:5 mg
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Description
JNJ-31020028 is a selective and brain penetrant antagonist of neuropeptide Y Y2 receptor with pIC50 values of 8.07 and 8.22 for human and rat Y2 receptor, respectively. JNJ-31020028 can be used for the research of nervous disease[1].
CAS Number
1094873-14-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Neuropeptide Y Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease; Endocrinology
Assay Protocol
https://www.medchemexpress.com/JNJ-31020028.html
Concentration
10mM
Purity
98.02
Solubility
DMSO : 21.5 mg/mL (ultrasonic; warming)
Smiles
O=C(N(CC)CC)C(N1CCN(C2=CC=C(NC(C3=C(C4=CC=CN=C4)C=CC=C3)=O)C=C2F)CC1)C5=CC=CC=C5
Molecular Formula
C34H36FN5O2
Molecular Weight
565.68
Precautions
H302, H315, H319, H335
References & Citations
[1]Shoblock JR, et al. In vitro and in vivo characterization of JNJ-31020028 (N- (4-{4-[2- (diethylamino) -2-oxo-1-phenylethyl]piperazin-1-yl}-3-fluorophenyl) -2-pyridin-3-ylbenzamide), a selective brain penetrant small molecule antagonist of the neuropeptide Y Y (2) receptor. Psychopharmacology (Berl) . 2010 Feb;208 (2) :265-77.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
NPY Y2 receptor

Chemical Information

Jnj-31020028

Anti-Anxiety Agent; structure in first source

CAS Number1094873-14-9
PubChem CID25134625
IUPAC NameN-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
Molecular FormulaC34H36FN5O2
Molecular Weight565.7
XLogP5.3
Topological Polar Surface Area68.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count42
Formal Charge0
Complexity857
SMILES
CCN(CC)C(=O)C(C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4C5=CN=CC=C5)F
InChI
InChI=1S/C34H36FN5O2/c1-3-38(4-2)34(42)32(25-11-6-5-7-12-25)40-21-19-39(20-22-40)31-17-16-27(23-30(31)35)37-33(41)29-15-9-8-14-28(29)26-13-10-18-36-24-26/h5-18,23-24,32H,3-4,19-22H2,1-2H3,(H,37,41)
InChIKey
OVUNRYUVDVWTTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jnj-31020028
CAS: 1094873-14-9
CID: 25134625
Formula: C34H36FN5O2
MW: 565.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight565.7
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass565.28530357
Monoisotopic Mass565.28530357
Topological Polar Surface Area68.8 Ų
Heavy Atom Count42
Formal Charge0
Complexity857
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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