JNJ-31020028

Alias: JNJ 31020028; JNJ31020028; JNJ-31020028

Cat No.:V2943 Purity: = 100%

COA Product Data Instructions for use SDS

JNJ-31020028 Chemical Structure CAS No.: 1094873-14-9
Product category: Neuropeptide Y Receptor

This product is for research use only, not for human use. We do not sell to patients.

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1-708-310-1919 sales@invivochem.com

Other Forms of JNJ-31020028:

(R)-JNJ-31020028

Official Supplier of:

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Purity & Quality Control Documentation

Current batch：

Purity: = 100%

COA

MSDS

NMR

HPLC

Instructions

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Biological Data

Product Description

JNJ-31020028 (JNJ31020028) is a potent, high-affinitiy, selective and brain penetrant small molecule antagonist of the neuropeptide Y(2) receptor with pIC50=8.07 (human); pIC50=8.22 (rat); it is >100-fold selective versus human Y1/Y4/Y5 receptors. JNJ-31020028 was >100-fold selective against human Y(1), Y(4), and Y(5) receptors and bound with high affinity (pIC(50) = 8.07 +/- 0.05, human, and pIC(50) = 8.22 +/- 0.06, rat). Functional assays showed that JNJ-31020028 is an antagonist (pK(B) = 8.04 +/- 0.13). After being administered subcutaneously to rats, JNJ-31020028 occupied 90% of the binding sites for the Y(2) receptor at a dose of 10 mg/kg. In line with the colocalization of norepinephrine and neuropeptide Y, JNJ-31020028 enhanced norepinephrine release in the hypothalamus. It was discovered that JNJ-31020028 was ineffective in a number of anxiety models, but that it prevented stress-induced increases in plasma corticosterone without changing basal levels and restored basal food intake in stressed animals.

Biological Activity I Assay Protocols (From Reference)

Targets

rat Y2 receptor ( pIC50 = 8.22 ); human Y2 receptor ( pIC50 = 8.07 )

ln Vitro

In vitro activity: JNJ-31020028 is tested by binding to a panel of 50 receptors, ion channels, and transporters, such as adenosine (A1, A2A, A3), adrenergic (α1, α2, β1), angiotensin (AT1), dopamine (D1, D2), bradykinin (B2), cholecystokinin (CCKA), galanin (GAL2), melatonin (ML1), muscarinic (M1, M2, M3), neurotensin (NT1), neurokinin (NK2, NK3), opiate (μ, κ, δ), serotonin (5-HT1A, 5-HT1B, 5-HT2A, 5-HT3, 5-HT6, 5-HT7), somatostatin, vasopressin (V1a), norepinephrine transporter, dopamine transporter, and ion channels (sodium, calcium, potassium, and chloride). Except for the Y2 receptor, the Y2 antagonist exhibits no discernible affinity (<50% inhibition at 10μM) for any other receptor, transporter, or ion channel at concentrations up to 10μM. The Y2 antagonist's selectivity is assessed in more detail using a panel of 65 kinases. JNJ-31020028 (10μM) does not inhibit any of the panel's kinases[1].

ln Vivo

JNJ-31020028 is found to be ineffective in a number of anxiety models, but it does block stress-induced elevations in plasma corticosterone without changing basal levels and restore basal food intake in stressed animals. Pharmacokinetic parameters are established after JNJ-31020028 is given to rats orally (10 mg/kg), intravenously (1 mg/kg), and subcutaneously (10 mg/kg). The substance is highly bioavailable under the skin (100%), but poorly bioavailable when taken orally (6%). With a fast absorption rate of 0.83 hours and good plasma levels (Cmax 4.35 μmol/l), subcutaneous dosing is the preferred method for several of the models. Throughout the test, JNJ-31020028 has no discernible impact on locomotor activity[1].

Enzyme Assay

In functional assays, JNJ-31020028 was shown to be an antagonist (pK(B) = 8.04 +/- 0.13).

Animal Protocol

Dissolved in 20% 2-hydroxypropyl-beta-cyclodextrin for systemic treatment[2]; or dissolved in 1% DMSO and sterile saline for i.c.v. studies[2]; 0, 15, 30, and 40 mg/kg, subcutaneous

Rats [olfactory bulbectomized (OBX) rat]

References

[1]. Psychopharmacology (Berl) . 2010 Feb;208(2):265-77.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula	C34H36FN5O2
Molecular Weight	565.68
Exact Mass	565.29
Elemental Analysis	C, 72.19; H, 6.41; F, 3.36; N, 12.38; O, 5.66
CAS #	1094873-14-9
Related CAS #	(R)-JNJ-31020028; 1094873-17-2; 1094873-16-1 (S-isomer)
Appearance	White to off-white solid powder
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 Key	OVUNRYUVDVWTTE-UHFFFAOYSA-N
InChi Code	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)
Chemical Name	N-[4-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
Synonyms	JNJ 31020028; JNJ31020028; JNJ-31020028
HS Tariff Code	2934.99.9001
Storage	Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Solubility Data

Solubility (In Vitro)

DMSO: 21.5~100 mg/mL (38.0~176.8 mM)

Water: <1 mg/mL

Ethanol: <1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.42 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (4.42 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (4.42 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

(Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.7678 mL	8.8389 mL	17.6778 mL
	5 mM	0.3536 mL	1.7678 mL	3.5356 mL
	10 mM	0.1768 mL	0.8839 mL	1.7678 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

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Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
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Enter 5 in the Volume box and choose the correct unit (mL)
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The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
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The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

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Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)

Dosage mg/kg

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Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)

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Calculation results

Working concentration： mg/mL；

Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O，mix and clarify.

Note： (1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.

Biological Data

JNJ-31020028

(A and C) Digitized computer images of distribution of125I-PYY (A) andN-11C-methyl-JNJ-31020028 (C) binding sites in 20-μm sagittal cryosections of pig brain. Anterior part of brain has been removed so that sections could fit on double-sized microscope slides. (B and D) Inhibition plots of125I-PYY (B) orN-11C-methyl-JNJ-31020028 (D) binding in presence of JNJ-31020028.J Nucl Med.2014 Apr;55(4):635-9.

JNJ-31020028

Parametric images ofN-11C-methyl-JNJ-31020028 BPNDin living pig brain. Image is mean of 4 separate determinations, resampled into MR imaging–based common stereotactic space for pig brain and shown superimposed on MR imaging atlas.

JNJ-31020028

Time course of radioactivity concentration studied by PET in living pig brain after intravenous injection ofN-11C-methyl-JNJ-31020028.J Nucl Med.2014 Apr;55(4):635-9.

JNJ-31020028

Metabolism ofN-11C-methyl-JNJ-31020028 measured in blood plasma of pigs after intravenous injection. Symbols are as follows:N-[11C]methyl-JNJ-31020028 (●), first-eluting metabolite (○), second-eluting metabolite (□).

JNJ-31020028

Whole-body distribution ofN-11C-methyl-JNJ-31020028 in pig.J Nucl Med.2014 Apr;55(4):635-9.