Palbociclib | Solubility of Things

Identification

Molecular formula

C₂₄H₂₉N₇O₂

CAS number

571190-30-2

IUPAC name

N-[4-hydroxy-5-(hydroxymethyl)-2-[6-(tetralin-1-ylamino)purin-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide

State

Palbociclib is in a solid state at room temperature.

Melting point (Celsius)

141.70

Melting point (Kelvin)

414.85

Boiling point (Celsius)

678.30

Boiling point (Kelvin)

951.45

General information

Molecular weight

447.54g/mol

Molar mass

447.5140g/mol

Density

1.3600g/cm³

Appearence

Palbociclib appears as a white to almost white powder. It is generally supplied in a crystalline form for pharmaceutical use.

Comment on solubility

Solubility of N-[4-hydroxy-5-(hydroxymethyl)-2-[6-(tetralin-1-ylamino)purin-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide

The compound N-[4-hydroxy-5-(hydroxymethyl)-2-[6-(tetralin-1-ylamino)purin-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide, with the chemical formula C₂₄H₂₉N₇O₂, presents unique solubility characteristics due to its complex structure and functional groups. The solubility of this compound can vary significantly depending on the solvent used, and several key aspects should be considered:

Polarity of the Solvent: Given the presence of hydroxyl groups, the compound is likely to exhibit higher solubility in polar solvents such as water and alcohols.
Hydrophilic vs. Hydrophobic Regions: The tetrahydrofuran moiety and dimethoxy-benzamide may contribute to **hydrophobic interactions**, suggesting limited solubility in non-polar solvents such as hexane.
pH Sensitivity: The solubility could also be influenced by the pH of the surrounding environment, due to potential ionization of the amine group.
Concentration Effects: As concentrations increase, the solubility could be affected by self-association or aggregation phenomena.

In summary, the solubility of this compound is multifaceted and can be influenced by the choice of solvent, the presence of specific functional groups, and environmental conditions such as temperature and pH. Understanding these factors can be critical for applications in pharmaceuticals and material science.

Interesting facts

Interesting Facts about N-[4-hydroxy-5-(hydroxymethyl)-2-[6-(tetralin-1-ylamino)purin-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide

N-[4-hydroxy-5-(hydroxymethyl)-2-[6-(tetralin-1-ylamino)purin-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide is a complex compound with intriguing properties that highlight the intersection of organic chemistry and medicinal chemistry. Here are some fascinating aspects of this compound:

Structure Complexity: The compound features a unique combination of a tetrahydrofuran moiety and a purine derivative, which showcases the versatility in constructing intricate molecular architectures.
Biological Significance: Compounds based on purines are crucial in biological systems. They play a key role in energy transfer (as in ATP) and in the storage of genetic information (as in DNA and RNA). This compound's structure may have potential implications in medicinal chemistry, particularly in developing pharmaceuticals.
Enzyme Interaction: Due to its purine structure, this compound may interact with various enzymes, including those involved in nucleic acid metabolism, which could lead to novel therapeutic applications.
Research Potential: With ongoing research into the effects of hydroxyl and methoxy substitutions on pharmacological properties, this compound may offer insights into drug development aimed at targeting specific biological pathways.
Analytical Techniques: The complexity of this compound makes it an interesting subject for various analytical techniques, including NMR spectroscopy and mass spectrometry, which can provide valuable information about its structural characteristics.

Overall, N-[4-hydroxy-5-(hydroxymethyl)-2-[6-(tetralin-1-ylamino)purin-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide serves as an excellent example of how the manipulation of organic compounds can lead to innovations in medicinal science. Its multifaceted structure emphasizes the importance of interdisciplinary approaches in the evolution of pharmaceutical chemistry.

Synonyms

PD040908