In the realm of pharmaceutical chemistry, understanding the precise characteristics of chemical compounds is fundamental to their successful application. Dimethyl Dicarbamate, identified by CAS number 1009119-64-5, is a complex organic molecule that has garnered significant attention for its role as a potent NS5A inhibitor and a valuable pharmaceutical intermediate. This article explores its chemical profile, including its molecular structure, physical properties, and key applications.

Molecular Structure and Identity

Dimethyl (2S, 2'S)-1, 1'-((2S, 2'S)-2, 2'-(4, 4'-(biphenyl-4, 4'-diyl)bis(1H-imidazole-4, 2-diyl))bis(pyrrolidine-2, 1-diyl))bis(3-methyl-1-oxobutane-2, 1-diyl)dicarbamate is a molecule characterized by its intricate structure. The name itself reveals several key components: a biphenyl core, imidazole rings, pyrrolidine moieties, and dicarbamate functionalities. These structural elements contribute to its specific physicochemical properties and its biological activity.

The molecular formula for this compound is C40H50N8O6, and its molecular weight is approximately 738.88 g/mol. The presence of chiral centers, indicated by the (2S, 2'S) designations, implies that specific stereochemistry is crucial for its intended biological function. This stereoselectivity is a common feature in pharmaceutical compounds, as different isomers can exhibit vastly different biological activities.

Physicochemical Properties

Based on available data for Dimethyl Dicarbamate, its typical physical characteristics include:

• Appearance: It is generally described as a white to dark yellow solid. The exact color can sometimes depend on the purity and manufacturing process.
• Melting Point: Information suggests a melting point above 155°C with decomposition, indicating a stable solid form under ambient conditions.
• Solubility: While specific solubility data can vary, it is often sparingly soluble in common organic solvents like chloroform and methanol, and slightly soluble in DMSO and aqueous acids. This solubility profile is important for formulation and reaction design.
• Density: A density of approximately 1.25 g/cm³ has been reported.

These properties are crucial for chemical engineers and formulators when developing synthesis routes or incorporating the compound into drug formulations. As a manufacturer, understanding these properties is key to ensuring product quality and consistency.

Key Applications and Significance

The primary significance of Dimethyl Dicarbamate lies in its potent inhibition of the Hepatitis C virus (HCV) non-structural protein 5A (NS5A). This makes it a vital compound in the research and development of antiviral therapies, particularly for Hepatitis C. Its application as a pharmaceutical intermediate means it is a foundational component used in the synthesis of active pharmaceutical ingredients (APIs).

For businesses looking to buy this compound, its value as a precursor for advanced antiviral drugs is undeniable. Whether for academic research, early-stage drug discovery, or large-scale API manufacturing, securing a reliable supply of high-purity Dimethyl Dicarbamate from a reputable supplier is paramount. Its complex structure and specific stereochemistry highlight the sophisticated synthesis capabilities required from its manufacturers.