Isotonitazene (CAS 14188-81-9): A High-Potency Benzimidazole Opioid for Advanced Research

Product Name: Isotonitazene
Synonyms: ISO; Isotonitazene
CAS Number: 14188-81-9
Chemical Name: N,N-diethyl-2-[[(4-ethoxyphenyl)methyl]-5-nitro-1H-benzimidazol-1-yl]ethanamine
Molecular Formula: C₂₁H₂₇N₅O₃
Molar Mass: 421.52 g/mol

Introduction: A Potent Subject for Specialized Research

Isotonitazene is a synthetic compound belonging to the benzimidazole class, a group of chemicals known for their high affinity and potency at opioid receptors. First identified in scientific literature in the late 1950s, this compound has garnered significant attention in modern research due to its complex pharmacological profile. It is structurally distinct from classical opioids like morphine or fentanyl, featuring a benzimidazole core, which is a critical area of study for understanding structure-activity relationships (SAR) in opioid receptor binding.

This compound is provided exclusively for the purpose of in vitro research and chemical analysis by qualified professionals in controlled laboratory environments.

Key Characteristics and Research Properties

• Exceptional Potency: Isotonitazene is characterized in preclinical literature as an extremely potent agonist at the μ-opioid receptor (MOR). Its potency is a primary subject of research, with studies indicating it may be significantly more potent than morphine. This high potency demands the utmost respect for precision in handling, measurement, and dilution. Research must be conducted using advanced, calibrated analytical equipment.

• Benzimidazole Class Compound: As part of the benzimidazole opioid family, its mechanism of action and metabolic pathways are a key focus of comparative pharmacological studies. Researchers utilize Isotonitazene to investigate the binding motifs and efficacy of non-traditional opioid structures.

• Receptor Binding Studies: This compound is a vital tool for in vitro assays aimed at elucidating the complexities of G-protein-coupled receptor (GPCR) signaling, particularly at the μ-opioid receptor site. It is used to study receptor activation, G-protein coupling, and the beta-arrestin recruitment pathways associated with opioid agonists.

• Metabolic Pathway Analysis: Isotonitazene serves as a parent compound for studying in vitro metabolic pathways. Researchers analyze it to identify potential metabolites using techniques like LC-HRMS/MS (Liquid Chromatography – High-Resolution Tandem Mass Spectrometry), which is crucial for forensic toxicology and pharmacological profiling.

Intended Applications and Research Use

Isotonitazene (CAS 14188-81-9) is a chemical for controlled scientific investigation and is not for human or veterinary use.

Its primary applications include, but are not limited to:

• Forensic Toxicology: Used as a high-purity reference standard for the development and validation of analytical methods to detect and quantify this substance and its potential metabolites in forensic samples.

• Pharmacological Research: Studying the in vitro efficacy, potency, and binding kinetics of novel synthetic opioids at human opioid receptors.

• Metabolic Studies: Investigation of cytochrome P450 metabolism and the identification of major and minor metabolic pathways in hepatic microsome models.

• Structure-Activity Relationship (SAR) Studies: Essential for researchers mapping how specific molecular modifications on the benzimidazole scaffold affect binding affinity, efficacy, and selectivity at opioid receptor subtypes.

Handling, Storage, and Safety Information

• Purity: >98% (HPLC verified)

• Appearance: Typically supplied as a white to off-white powder or crystalline solid.

• Solubility: Soluble in common organic solvents such as dimethyl sulfoxide (DMSO), ethanol, and methanol. Limited solubility in water.

• Storage: Must be stored in a cool, dry, and dark environment, ideally between +2°C and +8°C. The container must be tightly sealed and protected from moisture and light to ensure long-term stability.

• Handling: EXTREME CAUTION. This is a highly potent substance that poses a severe health risk even in microgram quantities. It must only be handled by trained researchers in a fully equipped laboratory using appropriate personal protective equipment (PPE), including gloves, lab coats, and safety glasses. A fume hood is strongly recommended for any handling of the pure