Nociceptin

Base Information

• Chemical Name: Nociceptin
• CAS No.: 170713-75-4
• Deprecated CAS: 171778-43-1
• Molecular Formula: C79H129 N27 O22
• Molecular Weight: 1809.06
• UNII: 7AYI9N34FF
• ChEMBL ID: CHEMBL396460
• DSSTox Substance ID: DTXSID60168933
• Wikidata: Q4327722
• Wikipedia: Nociceptin
• Mol file: 170713-75-4.mol

Synonyms:N-OFQ peptide;nociceptin;nociceptin-orphanin FQ;orphanin FQ

Chemical Property of Nociceptin

Chemical Property:

• PKA: 3.19±0.10(Predicted)
• PSA: 831.40000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: 1.07680
• Storage Temp.: −20°C
• XLogP3: -10.2
• Hydrogen Bond Donor Count: 30
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 64
• Exact Mass: 1807.98054885
• Heavy Atom Count: 128
• Complexity: 3720

Purity/Quality:

99%, ^*data from raw suppliers

Nociceptin ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)N
• Isomeric SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N)O
• General Description: Nociceptin (also known as orphanin FQ) is an endogenous neuropeptide that acts as the natural ligand for the nociceptin receptor (NOP), an orphan opioid receptor involved in modulating pain, cough, and other physiological processes. The study explores synthetic NOP-targeting ligands, demonstrating their potential as selective antitussive agents with reduced side effects compared to conventional opioids. While the research focuses on novel NOP ligands rather than nociceptin itself, it underscores the receptor's role in cough suppression and the therapeutic promise of NOP-selective compounds. **Returned paragraph:** Nociceptin (orphanin FQ) is an endogenous peptide ligand for the nociceptin receptor (NOP), which regulates physiological functions such as pain and cough. The development of selective NOP ligands, like the 3-substituted N-benzhydryl-nortropane analogs, highlights the receptor's therapeutic potential for cough treatment with improved safety over traditional opioids.

Refernces

Structure-activity relationships of 3-substituted N-benzhydryl-nortropane analogs as nociceptin receptor ligands for the treatment of cough

10.1016/j.bmcl.2008.10.088

The study investigates the structure–activity relationships (SAR) of 3-substituted N-benzhydryl-nortropane analogs as potential nociceptin receptor (NOP) ligands for treating cough. NOP, also known as ORL-1, is an orphan opioid receptor involved in various physiological processes, including cough mediation. The researchers synthesized a series of 3-axial-aminomethyl-N-benzhydryl-nortropane analogs and explored their binding affinity and selectivity for NOP over classic opioid receptors like MOP. Key chemicals involved include tropinone, which was demethylated and alkylated to form a ketone intermediate, and tosylmethyl isocyanide used in the transformation to a nitrile intermediate. The nitriles were further modified to aminomethyl or substituted aminomethyl groups using lithium aluminum hydride (LAH) and other reagents. The synthesized compounds were tested for their binding affinity at the cloned human nociceptin receptor and their functional activities. Compound 18 showed potent NOP binding affinity with a Ki of 6 nM and superior selectivity over MOP binding. Selected compounds demonstrated good DMPK profiles and potent oral antitussive activity in a guinea pig model, with compound 21 showing an ED50 of 0.19 mg/kg at 2 hours. The study highlights the potential of these analogs as novel therapeutic agents for cough management with improved side effect profiles compared to traditional opioid-based antitussives.

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