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Pyrrolostatin

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Identification
Molecular formula
C21H24F3N3O5S
CAS number
201187-38-4
IUPAC name
2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridyl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)acetamide
State
State

At room temperature, Pyrrolostatin is typically found in a solid state. The compound is stable under normal conditions, but it should be kept away from excessive heat or direct sunlight to prevent degradation or structural change.

Melting point (Celsius)
208.00
Melting point (Kelvin)
481.15
Boiling point (Celsius)
460.40
Boiling point (Kelvin)
733.55
General information
Molecular weight
515.53g/mol
Molar mass
515.5300g/mol
Density
1.4980g/cm3
Appearence

Pyrrolostatin typically appears as a white to off-white crystalline powder. The compound is a complex molecule characterized by multiple functional groups that contribute to its solid-state appearance.

Comment on solubility

Solubility Characteristics of the Compound

The compound 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridyl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)acetamide, with the chemical formula C21H24F3N3O5S, presents interesting solubility properties that are influenced by its complex structure. Key factors regarding its solubility include:

  • Polarity: The presence of polar functional groups such as the sulfonamide and amide functionalities suggests that this compound may have moderate solubility in polar solvents, particularly water.
  • Fluorine Atoms: The inclusion of trifluoromethyl groups can enhance the compound’s hydrophobic characteristics, which may decrease overall aqueous solubility.
  • Hydrogen Bonding: Compounds containing amide groups can engage in hydrogen bonding, which could facilitate solubility in protic solvents.

To summarize, while some segments of the compound favor solubility in polar environments, the overall structure, particularly the presence of hydrophobic fluorinated groups, may create a complex balance. This leads to the conclusion that:

  • The compound is likely to be sparingly soluble in water.
  • Solvent selection will be critical in determining the effective solubility for practical applications.

In practical scenarios, experimenting with various solvent systems could yield valuable insights into enhancing or inhibiting the solubility of this compound, allowing for optimized formulation in various contexts.

Interesting facts

Interesting Facts about 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridyl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)acetamide

This compound is a striking example of modern medicinal chemistry, showcasing the synthesis of complex molecules designed for specific biological activities. Here are some engaging facts about this intriguing compound:

  • Biological Activity: Compounds like this one are often developed with therapeutic potential in mind, particularly in fields such as oncology or infectious disease treatment. Researchers modify molecular structures to enhance efficacy, alter pharmacokinetics, or minimize side effects.
  • Functional Groups: The presence of a sulfonamide group, alongside the pyridine and trifluoroisopropyl moieties, indicates potential interactions that could lead to unique biological responses. These groups can influence the compound's ability to bind to target proteins or enzymes, a critical factor in drug design.
  • Fluorine Utility: The incorporation of trifluoromethyl groups in pharmaceuticals can improve metabolic stability. Fluorine atoms can also boost lipophilicity, which facilitates membrane permeability, allowing for better absorption in biological systems.
  • Multi-Functional Synthesis: The synthetic routes to obtain such compounds often involve intricate multi-step processes that challenge chemists' skills. The ability to construct these complex molecules highlights advancements in synthetic organic chemistry.
  • Structure-Activity Relationship (SAR): This compound serves as an excellent model for studying the SAR, as slight alterations in its structure can significantly impact its biological properties. Thus, scientists may conduct various experiments to determine how modifications affect its activity.

Overall, 2-[3-(methylsulfamoylamino)-2-oxo-6-phenyl-1-pyridyl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)acetamide represents a fascinating intersection of chemistry and biology. Its complexity beckons researchers to delve deeper into its potential, while its unique functional groups provide insight into the innovation happening in pharmaceuticals today. As one chemist once famously noted, "The chemist's eye must seek the invisible."

Synonyms
CHEMBL279250
SCHEMBL6132131
MYFMPKCOIMRDDD-UHFFFAOYSA-N
BDBM50037342
2-Oxo-3-[[(methylamino)sulfonyl]amino]-6-phenyl-N-[1-(trifluoroacetyl)-2-methylpropyl]pyridine-1(2H)-acetamide
PD036077
1N-(3,3,3-trifluoro-1-isopropyl-2-oxopropyl)-2-(3-amino-sulfonylaminomethyl-2-oxo-6-phenyl-1,2-dihydro-1-pyridinyl)acetamide
2-[3-(Methylaminosulfamide-amino)-2-oxo-6-phenyl-2H-pyridin-1-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
3-[[(methyl-amino)sulfonyl]amino]-2-oxo-6-phenyl-N-[3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl]-1(2h)-pyridineacetamide