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Tiagabine

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Identification
Molecular formula
C20H25NO2S2
CAS number
115103-54-3
IUPAC name
8-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-1,3-dimethyl-6-sulfanyl-purin-2-one
State
State

Solid at room temperature. Tiagabine is primarily encountered in a solid state given its use in various pharmaceutical applications.

Melting point (Celsius)
170.00
Melting point (Kelvin)
443.15
Boiling point (Celsius)
443.95
Boiling point (Kelvin)
717.10
General information
Molecular weight
376.46g/mol
Molar mass
376.4620g/mol
Density
1.3910g/cm3
Appearence

Tiagabine appears as a solid substance. It typically has a crystalline form and its color can range from white to off-white.

Comment on solubility

Solubility Insights

The compound 8-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-1,3-dimethyl-6-sulfanyl-purin-2-one is a complex organic molecule, and understanding its solubility profile is crucial for applications in pharmaceuticals and chemical research. Here are some key points regarding its solubility:

  • Polarity: The presence of multiple functional groups, including sulfanyl and ketone functionalities, may influence polar characteristics, impacting solubility in polar solvents.
  • Solvent Compatibility: This compound may show higher solubility in polar solvents such as dimethyl sulfoxide (DMSO) or methanol, but might be less soluble in non-polar solvents like hexane.
  • Temperature Dependence: Generally, solubility can increase with temperature for many compounds. Conducting experiments at varying temperatures can provide valuable data.
  • pH Sensitivity: The ionization of functional groups can affect solubility. Thus, performing solubility tests across a range of pH levels is recommended.
  • Chemical Interactions: Its solubility may also be influenced by interactions with excipients or ions present in solution, potentially leading to complex formation.

In summary, the solubility of 8-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-1,3-dimethyl-6-sulfanyl-purin-2-one is a multifaceted characteristic influenced by factors such as polarity, solvent type, temperature, pH, and interactions with other chemical species. A systematic approach to evaluating these aspects will yield the most thorough understanding of its solubility behavior.

Interesting facts

Exploring 8-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-1,3-dimethyl-6-sulfanyl-purin-2-one

The compound known as 8-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-1,3-dimethyl-6-sulfanyl-purin-2-one is a fascinating example of a complex organic structure. This compound belongs to the purine family, which is essential in biological processes, especially in the formation of nucleic acids. Here are some interesting facts:

  • Pharmaceutical Relevance: Due to its unique structure, this compound may hold potential as a drug candidate, especially in the field of oncology. The modification in its molecular structure could influence its biological activity.
  • Fluorine-Substituted Compounds: The presence of a fluorine atom in the structure is particularly noteworthy. Fluorine is known to enhance the pharmacological properties of organic compounds, contributing to increased metabolic stability and bioactivity.
  • Sulfanyl Groups: This compound contains multiple sulfanyl (thiol) groups, which can play critical roles in biochemical interactions. They may act as nucleophiles in various reactions, making the compound potentially reactive in biological systems.
  • Structure-Activity Relationship: Understanding how the structural components affect the biological activity of this compound is a key area of study. Modifications at specific positions could lead to significant changes in efficacy, making it a topic of interest for medicinal chemists.
  • Research Potential: The study of this compound might lead to the discovery of new therapeutic agents or provide insights into the mechanisms of action of existing drugs.

As researchers delve deeper into the properties and applications of compounds like 8-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-1,3-dimethyl-6-sulfanyl-purin-2-one, they unearth new possibilities in drug design and discovery that could one day lead to innovative treatments for various diseases.