Ro64-6198 | CAS#280783-56-4 |NOP agonist

Ro64-6198
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 532569

CAS#: 280783-56-4

Description: Ro64-6198 is a nociceptin/orphanin FQ receptor (NOP) agonist.

Chemical Structure

Ro64-6198

CAS# 280783-56-4

Product data Instruction

Theoretical Analysis

MedKoo Cat#: 532569
Name: Ro64-6198
CAS#: 280783-56-4
Chemical Formula: C26H31N3O
Exact Mass: 401.25
Molecular Weight: 401.550
Elemental Analysis: C, 77.77; H, 7.78; N, 10.46; O, 3.98

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 282
25mg	USD 700
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: Ro64-6198; Ro 64-6198; Ro-64-6198.

IUPAC/Chemical Name: 8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

InChi Key: JLFMYEAXZNPWBK-REWPJTCUSA-N

InChi Code: InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m0/s1

SMILES Code: O=C1NCN(C2=CC=CC=C2)C13CCN([C@H]4CC[C@]5([H])CCCC6=CC=CC4=C56)CC3

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:

Product Data:

Product Data

Instruction:

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Biological target:	Ro 64-6198 is a brain-penetrant, nonpeptidic, high-affinity (Ki = 0.389 nM against 0.1 nM OFQ for binding human ORL1) nociceptin/orphanin FQ (N/OFQ) receptor ORL-1 (KOR-3, NOP) agonist (EC50 = 38.9 nM by GTPγS binding assay; IC50 = 32.4 nM against forskolin-stimulated cellular cAMP accumulation) with >100-fold selectivity over other opioid receptor family members (Ki = 46.8 nM/μ, 89.1 nM/k, 1.38 μM/δ) and no significant affinity toward 48 other receptors and ion channels (IC50 >1 μM).
In vitro activity:	This study characterizes the pharmacodynamics of Ro 64-6198 in cAMP and G-protein coupling in vitro and examine. For the first time, the effects of NPO FQ and Ro 64-6198 in arrestin recruitment assays. Reference: ACS Chem Neurosci. 2015 Dec 16;6(12):1956-64. https://pubmed.ncbi.nlm.nih.gov/26367173/
In vivo activity:	This study suggests that NOP receptor agonists, one being Ro 64-6198, should be explored as treatment for migraine symptoms. In mice, Ro 64-6198 dose dependently blocked nitroglycerin-induced paw and head allodynia. Ro 64-6198 can decrease nitroglycerin-induced light sensitivity in mice. Reference: Neuropharmacology. 2020 Jun 15;170:108029. https://pubmed.ncbi.nlm.nih.gov/32278976/

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	DMSO	50.0	124.52

Preparing Stock Solutions

The following data is based on the product molecular weight 401.55 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. Chang SD, Brieaddy LE, Harvey JD, Lewin AH, Mascarella SW, Seltzman HH, Reddy PA, Decker AM, McElhinny CJ Jr, Zhong D, Peterson EE, Navarro HA, Bruchas MR, Carroll FI. Novel Synthesis and Pharmacological Characterization of NOP Receptor Agonist 8-[(1S,3aS)-2,3,3a,4,5,6-Hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (Ro 64-6198). ACS Chem Neurosci. 2015 Dec 16;6(12):1956-64. doi: 10.1021/acschemneuro.5b00208. Epub 2015 Sep 30. PMID: 26367173; PMCID: PMC5572205. 2. Targowska-Duda KM, Ozawa A, Bertels Z, Cippitelli A, Marcus JL, Mielke-Maday HK, Zribi G, Rainey AN, Kieffer BL, Pradhan AA, Toll L. NOP receptor agonist attenuates nitroglycerin-induced migraine-like symptoms in mice. Neuropharmacology. 2020 Jun 15;170:108029. doi: 10.1016/j.neuropharm.2020.108029. Epub 2020 Mar 6. PMID: 32278976; PMCID: PMC7243257. 3. Cornelissen JC, Steele FF, Tenney RD, Obeng S, Rice KC, Zhang Y, Banks ML. Role of mu-opioid agonist efficacy on antinociceptive interactions between mu agonists and the nociceptin opioid peptide agonist Ro 64-6198 in rhesus monkeys. Eur J Pharmacol. 2019 Feb 5;844:175-182. doi: 10.1016/j.ejphar.2018.12.021. Epub 2018 Dec 12. PMID: 30552903; PMCID: PMC6445635.
In vitro protocol:	1. Chang SD, Brieaddy LE, Harvey JD, Lewin AH, Mascarella SW, Seltzman HH, Reddy PA, Decker AM, McElhinny CJ Jr, Zhong D, Peterson EE, Navarro HA, Bruchas MR, Carroll FI. Novel Synthesis and Pharmacological Characterization of NOP Receptor Agonist 8-[(1S,3aS)-2,3,3a,4,5,6-Hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (Ro 64-6198). ACS Chem Neurosci. 2015 Dec 16;6(12):1956-64. doi: 10.1021/acschemneuro.5b00208. Epub 2015 Sep 30. PMID: 26367173; PMCID: PMC5572205.
In vivo protocol:	1. Targowska-Duda KM, Ozawa A, Bertels Z, Cippitelli A, Marcus JL, Mielke-Maday HK, Zribi G, Rainey AN, Kieffer BL, Pradhan AA, Toll L. NOP receptor agonist attenuates nitroglycerin-induced migraine-like symptoms in mice. Neuropharmacology. 2020 Jun 15;170:108029. doi: 10.1016/j.neuropharm.2020.108029. Epub 2020 Mar 6. PMID: 32278976; PMCID: PMC7243257. 2. Cornelissen JC, Steele FF, Tenney RD, Obeng S, Rice KC, Zhang Y, Banks ML. Role of mu-opioid agonist efficacy on antinociceptive interactions between mu agonists and the nociceptin opioid peptide agonist Ro 64-6198 in rhesus monkeys. Eur J Pharmacol. 2019 Feb 5;844:175-182. doi: 10.1016/j.ejphar.2018.12.021. Epub 2018 Dec 12. PMID: 30552903; PMCID: PMC6445635.

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1: Reiss D, Prinssen EP, Wichmann J, Kieffer BL, Ouagazzal AM. The nociceptin orphanin FQ peptide receptor agonist, Ro64-6198, impairs recognition memory formation through interaction with glutamatergic but not cholinergic receptor antagonists. Neurobiol Learn Mem. 2012 Oct;98(3):254-60. doi: 10.1016/j.nlm.2012.09.002. Epub 2012 Sep 13. PubMed PMID: 22982481.

2: Reiss D, Wichmann J, Tekeshima H, Kieffer BL, Ouagazzal AM. Effects of nociceptin/orphanin FQ receptor (NOP) agonist, Ro64-6198, on reactivity to acute pain in mice: comparison to morphine. Eur J Pharmacol. 2008 Jan 28;579(1-3):141-8. Epub 2007 Oct 25. PubMed PMID: 18031727.

3: Gehlert DR, Gackenheimer SL, Shaw JL. Distribution of nociceptin and Ro64-6198 activated [35S]-GTPgammaS binding in the rat brain. Neuropeptides. 2006 Apr;40(2):95-105. Epub 2006 Jan 3. PubMed PMID: 16403422.

4: Varty GB, Hyde LA, Hodgson RA, Lu SX, McCool MF, Kazdoba TM, Del Vecchio RA, Guthrie DH, Pond AJ, Grzelak ME, Xu X, Korfmacher WA, Tulshian D, Parker EM, Higgins GA. Characterization of the nociceptin receptor (ORL-1) agonist, Ro64-6198, in tests of anxiety across multiple species. Psychopharmacology (Berl). 2005 Oct;182(1):132-43. Epub 2005 Sep 29. PubMed PMID: 16025321.

5: Obara I, Przewlocki R, Przewlocka B. Spinal and local peripheral antiallodynic activity of Ro64-6198 in neuropathic pain in the rat. Pain. 2005 Jul;116(1-2):17-25. PubMed PMID: 15927383.

6: Hashiba E, Lambert DG, Jenck F, Wichmann J, Smith G. Characterisation of the non-peptide nociceptin receptor agonist, Ro64-6198 in Chinese hamster ovary cells expressing recombinant human nociceptin receptors. Life Sci. 2002 Mar 1;70(15):1719-25. PubMed PMID: 12002517.

7: Higgins GA, Grottick AJ, Ballard TM, Richards JG, Messer J, Takeshima H, Pauly-Evers M, Jenck F, Adam G, Wichmann J. Influence of the selective ORL1 receptor agonist, Ro64-6198, on rodent neurological function. Neuropharmacology. 2001 Jul;41(1):97-107. PubMed PMID: 11445190.

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Ro64-6198 featured