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Darunavir

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Identification
Molecular formula
C27H37N3O7S
CAS number
206361-99-1
IUPAC name
N-[2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide
State
State
Darunavir is typically formulated in tablets or suspension for medical use, indicating its solid state at room temperature.
Melting point (Celsius)
67.00
Melting point (Kelvin)
340.15
Boiling point (Celsius)
735.80
Boiling point (Kelvin)
1 008.95
General information
Molecular weight
547.66g/mol
Molar mass
547.6620g/mol
Density
1.2804g/cm3
Appearence
Darunavir is a white powder that is poorly soluble in water. It is often encountered in pharmaceutical formulations as it is an antiretroviral medication used to treat and prevent HIV/AIDS.
Comment on solubility

Solubility of N-[2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide

The compound N-[2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide, with the chemical formula C27H37N3O7S, presents interesting challenges and characteristics regarding its solubility.

Key Factors Influencing Solubility:

  • Polarity: The presence of polar groups such as sulfonamide and ketone functionalities can enhance solubility in polar solvents, particularly water.
  • Molecular Mass: With a relatively high molecular weight, solubility in highly polar environments might be reduced compared to smaller molecules.
  • Hydrogen Bonding: Donor and acceptor sites in the structure can engage in hydrogen bonding, affecting solubility in organic solvents.
  • Crystallinity: If the compound tends to form stable crystalline structures, this may restrict its solubility by limiting interactions with solvents.

Overall, while the compound may exhibit some solubility in polar solvents due to its functional groups, its high molecular weight and potential crystalline nature could reduce solubility significantly in certain conditions. Thus, tailored studies would be essential to determine the precise solubility profiles, and as such, one should always refer to experimental data for the most accurate depiction of solubility behavior.

Interesting facts

Interesting Facts about N-[2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide

N-[2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide is a compound that presents intriguing properties, relevant to both medicinal chemistry and advanced pharmaceutical research. Here are some key points that highlight its significance:

  • Complex Structure: The compound boasts a multifaceted skeletal structure comprised of multiple rings, including both pyrrolidin and thienopyridine components. This complexity hints at a rich potential for diverse interactions within biological systems.
  • Potential Biological Activity: Compounds with similar structural motifs have been studied for their potential as inhibitors in various diseases, including cancer, inflammation, and neurodegenerative disorders. The presence of the sulfonamide group is particularly notable, as sulfonamides have well-documented antibacterial and antifungal properties.
  • Synthetic Pathways: The synthesis of this compound may involve advanced organic reactions, including cyclization and functional group modifications. Such synthetic routes are vital for the development of more effective drugs in medicinal chemistry.
  • Research Implications: Given the compound's unique molecular architecture, there is considerable interest in evaluating its pharmacological effects. This includes assessing its selectivity for biological targets which are crucial in drug discovery.
  • Interdisciplinary Study: The study of this compound touches upon various fields such as organic chemistry, medicinal chemistry, and pharmacology, fostering collaboration among scientists with diverse expertise.

In summary, N-[2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide represents a fascinating area of study that bridges complex chemistry with significant therapeutic potential. As research progresses, we may uncover novel applications and insights that could transform our understanding of drug design and biomedical science.

Synonyms
209285-82-5
1-[3-(4-Hydroxy-3,5-diMethoxyphenyl)-2-propenoate]
N-[2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide
SCHEMBL12589598
thieno [3,2-b]pyridine-2-sulfonic acid [2-oxo-1-(1h-pyrrolo[2,3-c]pyridin-2-ylmethyl)-pyrrolidin-3-yl]-amide