JNJ-37822681 | CAS#935776-74-2 | D2 Antagonist

MedKoo Cat#: 525324 | Name: JNJ-37822681

Description:

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

JNJ-37822681 is a novel, potent, specific, centrally active, and fast-dissociating D(2) antagonist with optimal brain disposition. JNJ-37822681 is the first compound that allows the evaluation of the potential value of fast D(2) antagonism for the treatment of schizophrenia and bipolar disorder.

Chemical Structure

JNJ-37822681

CAS#935776-74-2 (free base)

Theoretical Analysis

MedKoo Cat#: 525324

Name: JNJ-37822681

CAS#: 935776-74-2 (free base)

Chemical Formula: C17H17F5N4

Exact Mass: 372.1373

Molecular Weight: 372.34

Elemental Analysis: C, 54.84; H, 4.60; F, 25.51; N, 15.05

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

Bulk Inquiry

Related CAS #

935776-74-2 (free base) 2108806-02-4 (2HCl)

Synonym

JNJ-37822681; JNJ 37822681; JNJ37822681.

IUPAC/Chemical Name

3-Pyridazinamine, N-(1-((3,4-difluorophenyl)methyl)-4-piperidinyl)-6-(trifluoromethyl)-

InChi Key

UVUYWJWYRLJHEN-UHFFFAOYSA-N

InChi Code

1S/C17H17F5N4/c18-13-2-1-11(9-14(13)19)10-26-7-5-12(6-8-26)23-16-4-3-15(24-25-16)17(20,21)22/h1-4,9,12H,5-8,10H2,(H,23,25)

SMILES Code

FC(C1=NN=C(NC2CCN(CC3=CC=C(F)C(F)=C3)CC2)C=C1)(F)F

Appearance

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

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

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 372.34 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.

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

1: Alves IL, Willemsen AT, Dierckx RA, da Silva AM, Koole M. Dual time-point imaging for post-dose binding potential estimation applied to a [11C]raclopride PET dose occupancy study. J Cereb Blood Flow Metab. 2016 Apr 12. pii: 0271678X16644463. [Epub ahead of print] PubMed PMID: 27073203. 2: de Waal EJ, Desmidt M, Korte S, Niehoff M, Chase K, Arrowsmith W, Lampo A. Differential responses to JNJ-37822681, a specific and fast dissociating dopamine D2 receptor antagonist, in cynomolgus monkey and Sprague-Dawley rat general toxicology studies: clinical observations, prolactin levels, mammary histopathology findings and toxicokinetics. J Appl Toxicol. 2014 Sep;34(9):974-92. doi: 10.1002/jat.2916. Epub 2013 Sep 16. PubMed PMID: 24105799. 3: Daly EJ, Kent JM, Janssens L, Newcomer JW, Hüsken G, De Boer P, Tritsmans L, Schmidt ME. Metabolic and body mass parameters after treatment with JNJ-37822681, a novel fast-dissociating D2 receptor antagonist, vs olanzapine in patients with schizophrenia. Ann Clin Psychiatry. 2013 Aug;25(3):173-83. PubMed PMID: 23926573. 4: Hoeben E, Neyens M, Mannaert E, Schmidt M, Vermeulen A. Population pharmacokinetics of JNJ-37822681, a selective fast-dissociating dopamine D₂-receptor antagonist, in healthy subjects and subjects with schizophrenia and dose selection based on simulated D₂-receptor occupancy. Clin Pharmacokinet. 2013 Nov;52(11):1005-15. doi: 10.1007/s40262-013-0084-3. PubMed PMID: 23754735. 5: Geerts H, Spiros A, Roberts P, Twyman R, Alphs L, Grace AA. Blinded prospective evaluation of computer-based mechanistic schizophrenia disease model for predicting drug response. PLoS One. 2012;7(12):e49732. doi: 10.1371/journal.pone.0049732. Epub 2012 Dec 14. PubMed PMID: 23251349; PubMed Central PMCID: PMC3522663. 6: Anghelescu IG, Janssens L, Kent J, de Boer P, Tritsmans L, Daly EJ, van Nueten L, Schmidt ME. Does early improvement predict response to the fast-dissociating D₂ receptor antagonist JNJ-37822681 in patients with acute schizophrenia? Eur Neuropsychopharmacol. 2013 Sep;23(9):1043-50. doi: 10.1016/j.euroneuro.2012.08.017. Epub 2012 Sep 18. PubMed PMID: 22995972. 7: Schmidt ME, de Boer P, Andrews R, Neyens M, Rossenu S, William Falteos D, Mannaert E. D₂-receptor occupancy measurement of JNJ-37822681, a novel fast off-rate D₂-receptor antagonist, in healthy subjects using positron emission tomography: single dose versus steady state and dose selection. Psychopharmacology (Berl). 2012 Dec;224(4):549-57. doi: 10.1007/s00213-012-2782-1. Epub 2012 Jul 7. PubMed PMID: 22773165. 8: Langlois X, Megens A, Lavreysen H, Atack J, Cik M, te Riele P, Peeters L, Wouters R, Vermeire J, Hendrickx H, Macdonald G, De Bruyn M. Pharmacology of JNJ-37822681, a specific and fast-dissociating D2 antagonist for the treatment of schizophrenia. J Pharmacol Exp Ther. 2012 Jul;342(1):91-105. doi: 10.1124/jpet.111.190702. Epub 2012 Apr 6. PubMed PMID: 22490380. 9: Schmidt ME, Kent JM, Daly E, Janssens L, Van Osselaer N, Hüsken G, Anghelescu IG, Van Nueten L. A double-blind, randomized, placebo-controlled study with JNJ-37822681, a novel, highly selective, fast dissociating D₂ receptor antagonist in the treatment of acute exacerbation of schizophrenia. Eur Neuropsychopharmacol. 2012 Oct;22(10):721-33. doi: 10.1016/j.euroneuro.2012.02.007. Epub 2012 Mar 31. PubMed PMID: 22464973. 10: te Beek ET, de Boer P, Moerland M, Schmidt ME, Hoetjes NJ, Windhorst AD, van Berckel BN, Cohen AF, van Gerven JM, Lammertsma AA. In vivo quantification of striatal dopamine D2 receptor occupancy by JNJ-37822681 using [11C]raclopride and positron emission tomography. J Psychopharmacol. 2012 Aug;26(8):1128-35. doi: 10.1177/0269881111435251. Epub 2012 Jan 30. PubMed PMID: 22290934. 11: Pilla Reddy V, Petersson KJ, Suleiman AA, Vermeulen A, Proost JH, Friberg LE. Pharmacokinetic-pharmacodynamic modeling of severity levels of extrapyramidal side effects with markov elements. CPT Pharmacometrics Syst Pharmacol. 2012 Sep 26;1:e1. doi: 10.1038/psp.2012.9. PubMed PMID: 23835881; PubMed Central PMCID: PMC3603470. 12: te Beek ET, Moerland M, de Boer P, van Nueten L, de Kam ML, Burggraaf J, Cohen AF, van Gerven JM. Pharmacokinetics and central nervous system effects of the novel dopamine D2 receptor antagonist JNJ-37822681. J Psychopharmacol. 2012 Aug;26(8):1119-27. doi: 10.1177/0269881111415733. Epub 2011 Sep 2. PubMed PMID: 21890591.