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Odanacatib

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Identification
Molecular formula
C33H38F2NO6P
CAS number
603139-19-1
IUPAC name
[2-[(1R,16R,20S)-1-fluoro-7-(4-fluorophenyl)-23-hydroxy-2,18,18,21-tetramethyl-17,19-dioxa-6,7-diazahexacyclo[11.10.0.02,10.04,8.014,21.016,20]tricosa-4(8),5,9,11-tetraen-20-yl]-2-oxo-ethyl] dihydrogen phosphate
State
State

At room temperature, odanacatib is typically found in a solid state, appearing as a fine powder. Its consistency may vary due to factors such as humidity and storage conditions.

Melting point (Celsius)
261.20
Melting point (Kelvin)
534.35
Boiling point (Celsius)
824.03
Boiling point (Kelvin)
1 097.18
General information
Molecular weight
586.52g/mol
Molar mass
586.5410g/mol
Density
1.5090g/cm3
Appearence

Odanacatib is typically an off-white to light yellow solid. It may appear crystalline depending on its preparation and purity.

Comment on solubility

Solubility of 2-[(1R,16R,20S)-1-fluoro-7-(4-fluorophenyl)-23-hydroxy-2,18,18,21-tetramethyl-17,19-dioxa-6,7-diazahexacyclo[11.10.0.02,10.04,8.014,21.016,20]tricosa-4(8),5,9,11-tetraen-20-yl]-2-oxo-ethyl dihydrogen phosphate

The solubility of this complex compound is influenced by several factors. Here are some key points to consider:

  • Polarity: Due to the presence of phosphate groups and various hydroxyl substituents, this compound is likely to exhibit a degree of polarity, which may enhance its solubility in polar solvents such as water.
  • Hydrogen bonding: The hydroxyl functional groups can engage in hydrogen bonding, which can further improve solubility in polar solvents.
  • Hydrophobic character: Conversely, the tetracyclic structure, along with the multiple methyl and phenyl groups, suggests that it may also possess hydrophobic characteristics, possibly leading to reduced solubility in non-polar solvents.

As a result, the solubility behavior might be classified as follows:

  1. High solubility in polar solvents: Due to the presence of functional groups that can interact favorably with water.
  2. Low solubility in non-polar solvents: As the hydrophobic segments of the compound can create a barrier to solvation in non-polar environments.

Ultimately, the solubility of this compound could vary drastically depending on the specific solvent conditions and temperature, making empirical testing essential to determine its solubility profile accurately. As with many complex chemical entities, understanding its solubility characteristics is vital for tailoring its application in various fields.

Interesting facts

Interesting Facts about Dihydrogen Phosphate Compound

This fascinating chemical compound, derived from complex organic chemistry processes, demonstrates the intricate nature of modern chemical synthesis. As a relatively unique molecule, it holds special significance in various fields, particularly in medicinal chemistry and biochemistry.

Unique Structural Characteristics

  • Contains a fluoro substitution on a steroid-like backbone, highlighting its potential medicinal properties.
  • The presence of multiple cycloalkane rings and oxo groups contributes to its intriguing three-dimensional structure.
  • Features tetramethyl groups that add alkyl branching, impacting its solubility and biological activity.

Potential Applications

This compound's unique structure positions it as a candidate for various applications:

  • Pharmaceutical Development: Researchers are continually seeking compounds that exhibit targeted activity and low toxicity. Its complex architecture suggests that it may interact with specific biological pathways.
  • Drug Delivery Systems: Its ester phosphate group can potentially facilitate the delivery of therapeutic agents within biological systems.

Quotes from the Scientific Community

As noted by one researcher, "The synthesis of such complex molecules often opens the door to finding new therapeutic targets." This captures the essence of exploring innovative compounds in medicinal chemistry.

Conclusion

In summary, the compound 2-[(1R,16R,20S)-1-fluoro-7-(4-fluorophenyl)-23-hydroxy-2,18,18,21-tetramethyl-17,19-dioxa-6,7-diazahexacyclo[11.10.0.02,10.04,8.014,21.016,20]tricosa-4(8),5,9,11-tetraen-20-yl]-2-oxo-ethyl dihydrogen phosphate exemplifies the complexity of synthetic organic chemistry. Continued research and exploration of its properties may lead to exciting advancements in pharmacology and therapeutic applications.