MCOPPB trihydrochloride
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MedKoo CAT#: 564077

CAS#: 1108147-88-1 (HCl)

Description: MCOPPB trihydrochloride is a potent and selective agonist of the NOP receptor.

Chemical Structure

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MCOPPB trihydrochloride
CAS# 1108147-88-1 (HCl)
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 564077
Name: MCOPPB trihydrochloride
CAS#: 1108147-88-1 (HCl)
Chemical Formula: C26H43Cl3N4
Exact Mass: 516.26
Molecular Weight: 518.008
Elemental Analysis: C, 60.29; H, 8.37; Cl, 20.53; N, 10.82

Price and Availability

Size Price Availability Quantity
5mg USD 350 2 Weeks
10mg USD 650 2 Weeks
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Related CAS #: 1108147-88-1(HCl)   1028969-49-4 (free base)  

Synonym: MCOPPB trihydrochloride; MCOPPB tri-hydrochloride; MCOPPB-trihydrochloride; MCOPPB tri-HCl

IUPAC/Chemical Name: 1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[(3R)-piperidin-3-yl]benzimidazole trihydrochloride

InChi Key: DTIPEVOPCGEULQ-RFCADEKQSA-N

InChi Code: InChI=1S/C26H40N4.3ClH/c1-26(15-7-3-2-4-8-16-26)29-18-13-22(14-19-29)30-24-12-6-5-11-23(24)28-25(30)21-10-9-17-27-20-21;;;/h5-6,11-12,21-22,27H,2-4,7-10,13-20H2,1H3;3*1H/t21-;;;/m1.../s1

SMILES Code: CC1(N2CCC(N3C4=CC=CC=C4N=C3[C@H]5CNCCC5)CC2)CCCCCCC1.[H]Cl.[H]Cl.[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

Shelf Life: >3 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: 2934.99.03.00

More Info:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: MCOPPB 3Hcl is a nociceptin receptor agonist with pKi of 10.07.
In vitro activity: MCOPPB has a high affinity for the human NOP receptor (pKi = 10.07 +/- 0.01) and selectivity for the NOP receptor over other members of the opioid receptor family: 12-, 270- and >1000-fold more selective for the NOP receptor than for the micro-, kappa-, and delta-receptor, respectively. Reference: J Pharmacol Sci. 2008 Mar;106(3):361-8. https://pubmed.ncbi.nlm.nih.gov/18319566/
In vivo activity: MCOPPB reduced the senescence cell burden in peripheral tissues but not in the central nervous system. Mice and worms exposed to MCOPPB also exhibited locomotion and lipid storage changes. Mechanistically, MCOPPB treatment activated transcriptional networks involved in the immune responses to external stressors, implicating Toll-like receptors (TLRs). Reference: Geroscience. 2022 Feb;44(1):463-483. https://pubmed.ncbi.nlm.nih.gov/34820764/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 100.0 196.05

Preparing Stock Solutions

The following data is based on the product molecular weight 518.01 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.

Recalculate based on batch purity %
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. Raffaele M, Kovacovicova K, Biagini T, Lo Re O, Frohlich J, Giallongo S, Nhan JD, Giannone AG, Cabibi D, Ivanov M, Tonchev AB, Mistrik M, Lacey M, Dzubak P, Gurska S, Hajduch M, Bartek J, Mazza T, Micale V, Curran SP, Vinciguerra M. Nociceptin/orphanin FQ opioid receptor (NOP) selective ligand MCOPPB links anxiolytic and senolytic effects. Geroscience. 2022 Feb;44(1):463-483. doi: 10.1007/s11357-021-00487-y. Epub 2021 Nov 24. PMID: 34820764; PMCID: PMC8612119. 2. Hirao A, Imai A, Sugie Y, Yamada Y, Hayashi S, Toide K. Pharmacological characterization of the newly synthesized nociceptin/orphanin FQ-receptor agonist 1-[1-(1-methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3-piperidinyl]-1H-benzimidazole as an anxiolytic agent. J Pharmacol Sci. 2008 Mar;106(3):361-8. doi: 10.1254/jphs.fp0071742. Epub 2008 Mar 5. PMID: 18319566. 3. Hayashi S, Hirao A, Imai A, Nakamura H, Murata Y, Ohashi K, Nakata E. Novel non-peptide nociceptin/orphanin FQ receptor agonist, 1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3-piperidinyl]-1H-benzimidazole: design, synthesis, and structure-activity relationship of oral receptor occupancy in the brain for orally potent antianxiety drug. J Med Chem. 2009 Feb 12;52(3):610-25. doi: 10.1021/jm7012979. PMID: 19125610.
In vitro protocol: 1. Raffaele M, Kovacovicova K, Biagini T, Lo Re O, Frohlich J, Giallongo S, Nhan JD, Giannone AG, Cabibi D, Ivanov M, Tonchev AB, Mistrik M, Lacey M, Dzubak P, Gurska S, Hajduch M, Bartek J, Mazza T, Micale V, Curran SP, Vinciguerra M. Nociceptin/orphanin FQ opioid receptor (NOP) selective ligand MCOPPB links anxiolytic and senolytic effects. Geroscience. 2022 Feb;44(1):463-483. doi: 10.1007/s11357-021-00487-y. Epub 2021 Nov 24. PMID: 34820764; PMCID: PMC8612119. 2. Hirao A, Imai A, Sugie Y, Yamada Y, Hayashi S, Toide K. Pharmacological characterization of the newly synthesized nociceptin/orphanin FQ-receptor agonist 1-[1-(1-methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3-piperidinyl]-1H-benzimidazole as an anxiolytic agent. J Pharmacol Sci. 2008 Mar;106(3):361-8. doi: 10.1254/jphs.fp0071742. Epub 2008 Mar 5. PMID: 18319566.
In vivo protocol: 1. Raffaele M, Kovacovicova K, Biagini T, Lo Re O, Frohlich J, Giallongo S, Nhan JD, Giannone AG, Cabibi D, Ivanov M, Tonchev AB, Mistrik M, Lacey M, Dzubak P, Gurska S, Hajduch M, Bartek J, Mazza T, Micale V, Curran SP, Vinciguerra M. Nociceptin/orphanin FQ opioid receptor (NOP) selective ligand MCOPPB links anxiolytic and senolytic effects. Geroscience. 2022 Feb;44(1):463-483. doi: 10.1007/s11357-021-00487-y. Epub 2021 Nov 24. PMID: 34820764; PMCID: PMC8612119. 2. Hayashi S, Hirao A, Imai A, Nakamura H, Murata Y, Ohashi K, Nakata E. Novel non-peptide nociceptin/orphanin FQ receptor agonist, 1-[1-(1-Methylcyclooctyl)-4-piperidinyl]-2-[(3R)-3-piperidinyl]-1H-benzimidazole: design, synthesis, and structure-activity relationship of oral receptor occupancy in the brain for orally potent antianxiety drug. J Med Chem. 2009 Feb 12;52(3):610-25. doi: 10.1021/jm7012979. PMID: 19125610.

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1: Chang SD, Mascarella SW, Spangler SM, Gurevich VV, Navarro HA, Carroll FI, Bruchas MR. Quantitative Signaling and Structure-Activity Analyses Demonstrate Functional Selectivity at the Nociceptin/Orphanin FQ Opioid Receptor. Mol Pharmacol. 2015 Sep;88(3):502-11. doi: 10.1124/mol.115.099150. Epub 2015 Jul 1. PubMed PMID: 26134494; PubMed Central PMCID: PMC4551045.