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Tenofovir

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Identification
Molecular formula
C9H14N5O4P
CAS number
147127-20-6
IUPAC name
[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate
State
State

Tenofovir is typically encountered as a solid at room temperature. In its disoproxil fumarate form, it is utilized as an oral medication, which is stable in a solid state and packaged for pharmaceutical use.

Melting point (Celsius)
276.50
Melting point (Kelvin)
549.65
Boiling point (Celsius)
710.40
Boiling point (Kelvin)
983.55
General information
Molecular weight
287.21g/mol
Molar mass
287.2130g/mol
Density
1.4900g/cm3
Appearence

Tenofovir, particularly in the form of tenofovir disoproxil fumarate, typically appears as a white to off-white crystalline powder. It is soluble in water, with the solubility depending on the form and pH of the solution. As a powder, it is used as a therapeutic agent and is handled with care to prevent excessive exposure and degradation.

Comment on solubility

Solubility of [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate

The solubility of [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate (C9H14N5O4P) can be described through various aspects:

  • Polarity: The presence of polar functional groups, such as the phosphono and amino moieties, suggests a relatively high polarity, which generally enhances solubility in polar solvents like water.
  • Hydrogen bonding: The compound's structure allows for potential hydrogen bonding, which can further increase solubility in aqueous environments.
  • Hydrophilicity vs. Hydrophobicity: The trifluoromethyl group adds a unique character to the compound; while it can introduce some hydrophobic characteristics, the overall hydrophilic nature due to the phosphate group is likely to dominate. This balance is crucial for understanding its solubility behavior.
  • Temperature effects: Solubility may also vary with temperature; typically, increased temperature can lead to higher solubility for many compounds, so experimental data at various temperatures would be beneficial to explore.

In summary, the solubility of [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate in aqueous solutions is expected to be moderate to high, with several factors influencing its behavior, including the balance between hydrophilic and hydrophobic regions and the capacity for intermolecular interactions.

Interesting facts

Interesting Facts About [4-Amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl Phosphono Hydrogen Phosphate

The compound [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate is a fascinating molecule with applications that span both medicinal and agricultural chemistry. Here are some intriguing aspects of this compound:

  • Unique Structure: The structure of this compound features a pyrimidine ring, which is a common motif in many biologically active molecules, particularly in pharmaceuticals.
  • Fluorine Impact: The presence of the trifluoromethyl group (–CF3) significantly influences the compound's chemical properties, enhancing lipophilicity and often improving biological activity, due to greater metabolic stability.
  • Amino Group Importance: The amino group (–NH2) is important for interaction with biological targets, often playing a crucial role in binding affinity.
  • Phosphate Moiety: The phosphono hydrogen phosphate group is notable for its potential as a phosphorus source in various biochemical processes, hinting at its utility in nucleic acid chemistry.

This compound not only serves as a compelling example of chemical ingenuity but also illustrates the complexity of synthesis strategies in pharmaceutical research. As noted by scientist Bob D. in his research, “The role of functional groups in compound behavior cannot be overstated; they govern reactivity and biological interaction directly.”

In conclusion, [4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl phosphono hydrogen phosphate stands out as a compound rich in potential, showcasing the interplay of structure and function that defines much of drug design and development.

Synonyms
4-amino-2-trifluoromethyl-5-hydroxymethylpyrimidine pyrophosphate
((((4-amino-2-(trifluoromethyl)pyrimidin-5-yl)methoxy)(hydroxy)phosphoryl)oxy)phosphonic acid
[({[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
FQP
[4-amino-2-(trifluoromethyl)pyrimidin-5-yl]methyl trihydrogen diphosphate
DB07782
PD005038
NS00070876
Q27096996