JTC-801 HCl | CAS#244218-51-7 | ORL-1 receptor antagonist

MedKoo Cat#: 522475 | Name: JTC-801 HCl

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Description:

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

JTC-801 is an opioid analgesic drug used in scientific research. JTC-801 is a selective antagonist for the nociceptin receptor, also known as the ORL-1 receptor. The noiciceptin receptor has complex effects which are involved in many processes involved in pain and inflammation responses, and activation of this receptor can either increase or reduce pain depending on dose. Drugs acting at the noiciceptin receptor may influence the effects of traditional analgesics such as NSAIDs, μ-opioid agonists, and cannabinoids. JTC-801 is an orally active drug that blocks the nociceptin receptor and produces analgesic effects in a variety of animal studies, and is particularly useful for neuropathic pain and allodynia associated with nerve injury.

Chemical Structure

JTC-801 HCl

CAS#244218-51-7 (free base).

Theoretical Analysis

MedKoo Cat#: 522475

Name: JTC-801 HCl

CAS#: 244218-51-7 (free base).

Chemical Formula: C26H26ClN3O2

Exact Mass:

Molecular Weight: 447.96

Elemental Analysis: C, 69.71; H, 5.85; Cl, 7.91; N, 9.38; O, 7.14

Price and Availability

Size	Price	Availability
10mg	USD 300.00	2 Weeks
25mg	USD 550.00	2 Weeks
50mg	USD 850.00	2 Weeks
100mg	USD 1,350.00	2 Weeks

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Synonym

JTC-801; JTC 801; JTC801; JTC-801 HCl.

IUPAC/Chemical Name

N-(4-Amino-2-methyl-6-quinolinyl)-2-[(4-ethylphenoxy)methyl]benzamide hydrochloride

InChi Key

NQLIYKXNAXKMBL-UHFFFAOYSA-N

InChi Code

InChI=1S/C26H25N3O2.ClH/c1-3-18-8-11-21(12-9-18)31-16-19-6-4-5-7-22(19)26(30)29-20-10-13-25-23(15-20)24(27)14-17(2)28-25;/h4-15H,3,16H2,1-2H3,(H2,27,28)(H,29,30);1H

SMILES Code

O=C(NC1=CC=C2N=C(C)C=C(N)C2=C1)C3=CC=CC=C3COC4=CC=C(CC)C=C4.[H]Cl

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, 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

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

JTC-801 is a selective opioid receptor-like1 (ORL1) receptor antagonist, binding to ORL1 receptor with a Ki value of 8.2 nM.

In vitro activity:

JTC-801 inhibited the binding of [(3)H]-nociceptin to human ORL(1) receptors expressed in HeLa cells with a K(i) value of 44.5 nM. Reference: Br J Pharmacol. 2002 Jan;135(2):323-32. https://pubmed.ncbi.nlm.nih.gov/11815367/

In vivo activity:

JTC-801 treatment reversed SPS-induced mechanical allodynia, thermal hyperalgesia, anxiety-like behaviour and hypocortisolism in rats. Elevated N/OFQ levels in serum, CSF, PAG and hippocampus at day 21 of SPS were blocked by JTC-801; daily JTC-801 treatment also reversed NOP receptor protein and mRNA up-regulation in amygdala and PAG. Reference: Br J Pharmacol. 2015 Jan;172(2):571-82. https://pubmed.ncbi.nlm.nih.gov/24666365/

	Solvent	mg/mL	mM
Solubility
	DMF	30.0	66.97
	DMSO	66.2	147.78
	DMSO:PBS (pH 7.2) (1:5)	0.2	0.36
	Ethanol	20.0	44.62
	Water	78.3	174.72

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 447.96 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

Formulation protocol:

1. Yamada H, Nakamoto H, Suzuki Y, Ito T, Aisaka K. Pharmacological profiles of a novel opioid receptor-like1 (ORL(1)) receptor antagonist, JTC-801. Br J Pharmacol. 2002 Jan;135(2):323-32. doi: 10.1038/sj.bjp.0704478. PMID: 11815367; PMCID: PMC1573142. 2. Zhao B, Hu T. JTC-801 inhibits the proliferation and metastasis of the Hep G2 hepatoblastoma cell line by regulating the phosphatidylinositol 3-kinase/protein kinase B signalling pathway. Oncol Lett. 2019 Feb;17(2):1939-1945. doi: 10.3892/ol.2018.9780. Epub 2018 Nov 30. PMID: 30675258; PMCID: PMC6341900. 3. Zhang Y, Simpson-Durand CD, Standifer KM. Nociceptin/orphanin FQ peptide receptor antagonist JTC-801 reverses pain and anxiety symptoms in a rat model of post-traumatic stress disorder. Br J Pharmacol. 2015 Jan;172(2):571-82. doi: 10.1111/bph.12701. Epub 2014 Jul 1. PMID: 24666365; PMCID: PMC4292969. 4. Koyama T, Fukuda K. Nociceptin receptor antagonist JTC-801 inhibits nitrous oxide-induced analgesia in mice. J Anesth. 2009;23(2):301-3. doi: 10.1007/s00540-009-0739-2. Epub 2009 May 15. PMID: 19444578.

In vitro protocol:

In vivo protocol:

1. Zhang Y, Simpson-Durand CD, Standifer KM. Nociceptin/orphanin FQ peptide receptor antagonist JTC-801 reverses pain and anxiety symptoms in a rat model of post-traumatic stress disorder. Br J Pharmacol. 2015 Jan;172(2):571-82. doi: 10.1111/bph.12701. Epub 2014 Jul 1. PMID: 24666365; PMCID: PMC4292969. 2. Koyama T, Fukuda K. Nociceptin receptor antagonist JTC-801 inhibits nitrous oxide-induced analgesia in mice. J Anesth. 2009;23(2):301-3. doi: 10.1007/s00540-009-0739-2. Epub 2009 May 15. PMID: 19444578.

1: Zhang Y, Simpson-Durand CD, Standifer KM. Nociceptin/orphanin FQ peptide receptor antagonist JTC-801 reverses pain and anxiety symptoms in a rat model of post-traumatic stress disorder. Br J Pharmacol. 2015 Jan;172(2):571-82. doi: 10.1111/bph.12701. Epub 2014 Jul 1. PubMed PMID: 24666365; PubMed Central PMCID: PMC4292969. 2: Koyama T, Fukuda K. Nociceptin receptor antagonist JTC-801 inhibits nitrous oxide-induced analgesia in mice. J Anesth. 2009;23(2):301-3. doi: 10.1007/s00540-009-0739-2. Epub 2009 May 15. PubMed PMID: 19444578. 3: Rawls SM, Schroeder JA, Ding Z, Rodriguez T, Zaveri N. NOP receptor antagonist, JTC-801, blocks cannabinoid-evoked hypothermia in rats. Neuropeptides. 2007 Aug;41(4):239-47. Epub 2007 May 23. PubMed PMID: 17512052. 4: Tamai H, Sawamura S, Takeda K, Orii R, Hanaoka K. Anti-allodynic and anti-hyperalgesic effects of nociceptin receptor antagonist, JTC-801, in rats after spinal nerve injury and inflammation. Eur J Pharmacol. 2005 Mar 14;510(3):223-8. PubMed PMID: 15763246. 5: Sestili I, Borioni A, Mustazza C, Rodomonte A, Turchetto L, Sbraccia M, Riitano D, Del Giudice MR. A new synthetic approach of N-(4-amino-2-methylquinolin-6-yl)-2-(4-ethylphenoxymethyl)benzamide (JTC-801) and its analogues and their pharmacological evaluation as nociceptin receptor (NOP) antagonists. Eur J Med Chem. 2004 Dec;39(12):1047-57. PubMed PMID: 15571866. 6: Suyama H, Kawamoto M, Gaus S, Yuge O. Effect of JTC-801 (nociceptin antagonist) on neuropathic pain in a rat model. Neurosci Lett. 2003 Nov 20;351(3):133-6. PubMed PMID: 14623124. 7: Mabuchi T, Matsumura S, Okuda-Ashitaka E, Kitano T, Kojima H, Nagano T, Minami T, Ito S. Attenuation of neuropathic pain by the nociceptin/orphanin FQ antagonist JTC-801 is mediated by inhibition of nitric oxide production. Eur J Neurosci. 2003 Apr;17(7):1384-92. PubMed PMID: 12713641. 8: Yamada H, Nakamoto H, Suzuki Y, Ito T, Aisaka K. Pharmacological profiles of a novel opioid receptor-like1 (ORL(1)) receptor antagonist, JTC-801. Br J Pharmacol. 2002 Jan;135(2):323-32. PubMed PMID: 11815367; PubMed Central PMCID: PMC1573142.