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Pirfenidone

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Identification
Molecular formula
C12H11NO2
CAS number
53179-13-8
IUPAC name
N-[7-[3,4-dihydroxy-5-[7-(2-hydroxy-4-oxo-1H-pyridin-3-yl)-6-methyl-7-oxo-hepta-1,3,5-trienyl]tetrahydrofuran-2-yl]-6-methoxy-5-methyl-octa-2,4-dienyl]-2-(2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dienyl-tetrahydropyran-2-yl)butanamide
State
State

At room temperature, pirfenidone is found as a solid in the form of a crystalline powder.

Melting point (Celsius)
109.00
Melting point (Kelvin)
382.15
Boiling point (Celsius)
385.40
Boiling point (Kelvin)
658.60
General information
Molecular weight
185.22g/mol
Molar mass
185.2160g/mol
Density
1.2897g/cm3
Appearence

Pirfenidone is typically described as a white to pale yellow crystalline powder.

Comment on solubility

Solubility of N-[7-[3,4-dihydroxy-5-[7-(2-hydroxy-4-oxo-1H-pyridin-3-yl)-6-methyl-7-oxo-hepta-1,3,5-trienyl]tetrahydrofuran-2-yl]-6-methoxy-5-methyl-octa-2,4-dienyl]-2-(2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dienyl-tetrahydropyran-2-yl)butanamide

The solubility of this complex compound, with the formula C12H11NO2, can be influenced by several factors:

  • Polarity: Given the presence of multiple hydroxyl (-OH) groups, this compound is likely polar, which generally enhances its solubility in polar solvents such as water.
  • Hydrogen Bonding: The hydroxyl and amide functional groups promote hydrogen bonding, potentially increasing solubility in protic solvents.
  • Structural Complexity: The intricate structure, including a variety of substituents, may lead to steric hindrance, which can affect solubility. Highly branched or bulky substituents may interfere with solvation.
  • Hydrophobic Regions: Components of the molecule likely exhibit hydrophobic characteristics, which can reduce solubility in aqueous environments but may enhance solubility in organic solvents.

In summary, while the polarity and hydrogen bonding capabilities suggest potential for solubility in water, the structural complexity and presence of hydrophobic regions might lead to variable solubility characteristics. As stated, "solubility is a multifaceted issue that often requires empirical testing for precise determination." Therefore, experimentation in different solvent systems is pivotal for conclusively mapping out the solubility profile of this unique compound.

Interesting facts

Interesting Facts About N-[7-[3,4-dihydroxy-5-[7-(2-hydroxy-4-oxo-1H-pyridin-3-yl)-6-methyl-7-oxo-hepta-1,3,5-trienyl]tetrahydrofuran-2-yl]-6-methoxy-5-methyl-octa-2,4-dienyl]-2-(2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dienyl-tetrahydropyran-2-yl)butanamide

This complex compound is notable for its potential applications and unique structural characteristics. Here are some interesting aspects to consider:

  • Structural Complexity: The compound exhibits an elaborate structure with multiple functional groups, making it a fascinating topic for chemists who study organic synthesis and medicinal chemistry.
  • Biological Relevance: Compounds like this one are often investigated for their potential therapeutic properties, particularly in the realms of antioxidants and anticancer agents.
  • Nature-Inspired Chemistry: Its multi-ring system indicates inspiration from natural products, which are commonly observed in plant-derived molecules, enhancing its potential as a bioactive compound.
  • Research Potential: Due to its complex arrangement, this molecule is a prime candidate for further research. It could lead to discoveries related to enzyme inhibition or cell signaling pathways.
  • Application in Drug Development: With the growing interest in personalized medicine, this compound can be a valuable subject of study in synthesizing novel therapeutic agents tailored to specific diseases.
  • Challenges in Synthesis: The synthesis of such intricate molecules can be quite challenging and may involve sophisticated techniques such as asymmetric synthesis and multi-step reactions.

As a research student or a scientist, understanding the implications of such a compound can not only broaden your knowledge of chemical science but also inspire further innovations in the development of new medicines. With its remarkable structure and potential applications, this compound exemplifies the intersection of chemistry and pharmacology, prompting questions about how we can harness these insights in real-world applications.