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Miransertib

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Identification
Molecular formula
C26H30N6O5
CAS number
1645286-75-4
IUPAC name
methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)pyrazine-1-carboxylate
State
State

At room temperature, Miransertib is in a solid state, typically found as a crystalline powder form, which ensures stability and ease of handling for pharmaceutical applications.

Melting point (Celsius)
242.70
Melting point (Kelvin)
515.85
Boiling point (Celsius)
500.00
Boiling point (Kelvin)
773.15
General information
Molecular weight
499.56g/mol
Molar mass
499.4990g/mol
Density
1.3500g/cm3
Appearence

Miransertib is typically a solid at room temperature. It may appear as a crystalline powder that is often white to off-white in color.

Comment on solubility

Solubility of Methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)pyrazine-1-carboxylate

The compound with the formula C26H30N6O5 displays intriguing solubility characteristics. Understanding the solubility of this compound can provide insight into its potential applications and behavior in various environments. Below are some essential points regarding its solubility:

  • Polarity: The presence of multiple functional groups, such as the carboxylate and imidazole, suggests that the compound may exhibit moderate to high polar characteristics.
  • Solvents: It is likely to be more soluble in polar solvents (e.g., ethanol, methanol, or water) compared to non-polar solvents due to its functional groups.
  • pH Influence: Solubility may vary significantly with changes in pH; thus, understanding its ionic forms could be crucial for predicting its behavior in different conditions.
  • Temperature Dependence: Like many organic compounds, solubility may increase with temperature, allowing for enhanced dissolution in heated solvents.

In conclusion, the solubility profile of this compound can be categorized as potentially moderate to high in suitable polar environments, influenced by its chemical structure and external conditions. As always, experimental data is vital to confirm these predictions.

Interesting facts

Interesting Facts About Methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)pyrazine-1-carboxylate

Methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)pyrazine-1-carboxylate is a fascinating chemical compound that straddles the intersection of medicinal chemistry and synthetic organic chemistry. Here are some engaging insights:

  • Complex Structure: This compound boasts a highly intricate molecular structure that incorporates a variety of functional groups, making it a prime candidate for research in drug design.
  • Pharmacological Relevance: The unique combination of imidazol, pyrimidine, and benzodioxole moieties opens up possibilities for the compound to interact with specific biological targets, potentially leading to therapeutic applications.
  • Synthetic Pathways: The synthesis of this compound often involves multiple steps, employing advanced techniques such as cross-coupling reactions and protected amino acid strategies.
  • Research Potential: Scientists are actively exploring derivatives of this compound for their potential anti-cancer, anti-inflammatory, and antimicrobial properties.
  • Key Interactions: The imidazole and pyrimidine rings contribute significantly to the binding affinity with biological receptors due to their nitrogen-rich nature.

This compound reflects the creative aspects of synthetic chemistry and the ongoing quest to discover new therapeutic agents. The ongoing research surrounding it highlights the importance of structure-activity relationships, proving that even a small change in molecular structure can lead to significant variations in biological activity. As expressed in scientific circles, "The molecules we design today are the medicines of tomorrow." Through diligent study, compounds like methyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)pyrazine-1-carboxylate keep the door open to innovative solutions in healthcare.