JNJ-31020028
featured

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 510336

CAS#: 1094873-14-9 (recemate)

Description: JNJ-31020028 is a selective brain penetrant small molecule antagonist of the neuropeptide Y Y(2) receptor. JNJ-31020028 bound with high affinity (pIC(50) = 8.07 +/- 0.05, human, and pIC(50) = 8.22 +/- 0.06, rat) and was >100-fold selective versus human Y(1), Y(4), and Y(5) receptors. JNJ-31020028 was demonstrated to be an antagonist (pK(B) = 8.04 +/- 0.13) in functional assays. JNJ-31020028 occupied Y(2) receptor binding sites (approximately 90% at 10 mg/kg) after subcutaneous administration in rats. JNJ-31020028 increased norepinephrine release in the hypothalamus, consistent with the colocalization of norepinephrine and neuropeptide Y. In a variety of anxiety models, JNJ-31020028 was found to be ineffective, although it did block stress-induced elevations in plasma corticosterone, without altering basal levels, and normalized food intake in stressed animals without affecting basal food intake.


Chemical Structure

img
JNJ-31020028
CAS# 1094873-14-9 (recemate)

Theoretical Analysis

MedKoo Cat#: 510336
Name: JNJ-31020028
CAS#: 1094873-14-9 (recemate)
Chemical Formula: C34H36FN5O2
Exact Mass: 565.2853
Molecular Weight: 565.6
Elemental Analysis: C, 72.19; H, 6.41; F, 3.36; N, 12.38; O, 5.66

Size Price Shipping out time Quantity
10mg USD 150 Same day
25mg USD 250 Same day
50mg USD 450 Same day
100mg USD 750 Same day
200mg USD 1250 Same day
500mg USD 1950 Same day
1g USD 3250 Same day
2g USD 5250 Same day
5g USD 8650 Same day
Inquire bulk and customized quantity

Pricing updated 2021-03-07. Prices are subject to change without notice.

JNJ-31020028, purity > 98%, is in stock. The same day shipping out after order is received.

Related CAS #: 1094873-17-2 (R-isomer)   1094873-16-1 (S-isomer)   1094873-14-9 (recemate)    

Synonym: JNJ31020028; JNJ 31020028; JNJ-31020028.

IUPAC/Chemical Name: N-(4-(4-(2-(diethylamino)-2-oxo-1-phenylethyl)piperazin-1-yl)-3-fluorophenyl)-2-(pyridin-3-yl)benzamide

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)

SMILES Code: O=C(NC1=CC=C(N2CCN(C(C3=CC=CC=C3)C(N(CC)CC)=O)CC2)C(F)=C1)C4=CC=CC=C4C5=CC=CN=C5

Appearance:
White to off-white solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 565.6 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Andersen TL, Friis SD, Audrain H, Nordeman P, Antoni G, Skrydstrup T. Efficient (11)C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis. J Am Chem Soc. 2015 Feb 4;137(4):1548-55. doi: 10.1021/ja511441u. Epub 2015 Jan 26. PubMed PMID: 25569730.

2: Winterdahl M, Audrain H, Landau AM, Smith DF, Bonaventure P, Shoblock JR, Carruthers N, Swanson D, Bender D. PET brain imaging of neuropeptide Y2 receptors using N-11C-methyl-JNJ-31020028 in pigs. J Nucl Med. 2014 Apr;55(4):635-9. doi: 10.2967/jnumed.113.125351. Epub 2014 Mar 10. PubMed PMID: 24614224.

3: Kallupi M, Vendruscolo LF, Carmichael CY, George O, Koob GF, Gilpin NW. Neuropeptide YY(2)R blockade in the central amygdala reduces anxiety-like behavior but not alcohol drinking in alcohol-dependent rats. Addict Biol. 2014 Sep;19(5):755-7. doi: 10.1111/adb.12059. Epub 2013 May 3. PubMed PMID: 23639035; PubMed Central PMCID: PMC3872251.

4: Wu W, Bates MA, Bursian SJ, Flannery B, Zhou HR, Link JE, Zhang H, Pestka JJ. Peptide YY3-36 and 5-hydroxytryptamine mediate emesis induction by trichothecene deoxynivalenol (vomitoxin). Toxicol Sci. 2013 May;133(1):186-95. doi: 10.1093/toxsci/kft033. Epub 2013 Mar 1. PubMed PMID: 23457120; PubMed Central PMCID: PMC3627556.

5: Morales-Medina JC, Dumont Y, Bonaventure P, Quirion R. Chronic administration of the Y2 receptor antagonist, JNJ-31020028, induced anti-depressant like-behaviors in olfactory bulbectomized rat. Neuropeptides. 2012 Dec;46(6):329-34. doi: 10.1016/j.npep.2012.09.009. Epub 2012 Oct 25. PubMed PMID: 23103057.

6: Janssen P, Verschueren S, Rotondo A, Tack J. Role of Y(2) receptors in the regulation of gastric tone in rats. Am J Physiol Gastrointest Liver Physiol. 2012 Apr;302(7):G732-9. doi: 10.1152/ajpgi.00404.2011. Epub 2012 Jan 19. PubMed PMID: 22268097.

7: Swanson DM, Wong VD, Jablonowski JA, Shah C, Rudolph DA, Dvorak CA, Seierstad M, Dvorak LK, Morton K, Nepomuceno D, Atack JR, Bonaventure P, Lovenberg TW, Carruthers NI. The discovery and synthesis of JNJ 31020028, a small molecule antagonist of the Neuropeptide Y Y₂ receptor. Bioorg Med Chem Lett. 2011 Sep 15;21(18):5552-6. doi: 10.1016/j.bmcl.2011.06.136. Epub 2011 Jul 18. PubMed PMID: 21802951.

8: Aydin C, Oztan O, Isgor C. Effects of a selective Y2R antagonist, JNJ-31020028, on nicotine abstinence-related social anxiety-like behavior, neuropeptide Y and corticotropin releasing factor mRNA levels in the novelty-seeking phenotype. Behav Brain Res. 2011 Sep 23;222(2):332-41. doi: 10.1016/j.bbr.2011.03.067. Epub 2011 Apr 8. PubMed PMID: 21497168; PubMed Central PMCID: PMC3096753.

9: Cippitelli A, Rezvani AH, Robinson JE, Eisenberg L, Levin ED, Bonaventure P, Motley ST, Lovenberg TW, Heilig M, Thorsell A. The novel, selective, brain-penetrant neuropeptide Y Y2 receptor antagonist, JNJ-31020028, tested in animal models of alcohol consumption, relapse, and anxiety. Alcohol. 2011 Sep;45(6):567-76. doi: 10.1016/j.alcohol.2010.09.003. Epub 2010 Dec 10. PubMed PMID: 21145691.

10: Shoblock JR, Welty N, Nepomuceno D, Lord B, Aluisio L, Fraser I, Motley ST, Sutton SW, Morton K, Galici R, Atack JR, Dvorak L, Swanson DM, Carruthers NI, Dvorak C, Lovenberg TW, Bonaventure P. 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. doi: 10.1007/s00213-009-1726-x. Epub 2009 Dec 2. PubMed PMID: 19953226.



Additional Information