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Abacavir

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Identification
Molecular formula
C14H18N6O
CAS number
136470-78-5
IUPAC name
2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
State
State

At room temperature, abacavir is in a solid crystalline form.

Melting point (Celsius)
165.00
Melting point (Kelvin)
438.15
Boiling point (Celsius)
679.10
Boiling point (Kelvin)
952.30
General information
Molecular weight
286.33g/mol
Molar mass
286.3310g/mol
Density
1.5200g/cm3
Appearence

Abacavir is typically found as a white to slightly yellow crystalline powder. It is odorless or may exhibit a faint odor, depending on its formulation and purity.

Comment on solubility

Solubility of 2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

The solubility of 2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (C14H18N6O) is influenced by its molecular structure, which features multiple functional groups that can engage in hydrogen bonding and interact with solvents. Understanding its solubility can be greatly beneficial in both pharmaceutical and chemical applications.

Key Points Regarding Solubility:

  • Polarity: The presence of hydroxymethyl and amino groups suggests that this compound is likely polar, which typically enhances its solubility in polar solvents such as water.
  • Hydrogen Bonding: The hydroxymethyl group can participate in hydrogen bonding interactions with water molecules, promoting solubility.
  • Functional Groups: The cyclohexylamino moiety may add hydrophobic characteristics, which can impact the compound's overall solubility in non-polar solvents.

Considering these factors, one might expect the compound to exhibit:

  • Higher solubility in polar solvents due to its polar functional groups.
  • Variable solubility in non-polar solvents depending on concentration and temperature.

In conclusion, the solubility of this compound is a delicate balance between its hydrophilic and hydrophobic characteristics. As stated, "The solubility profile of a compound is pivotal in determining its practical applications." Hence, understanding these properties is essential for developing effective usage strategies.

Interesting facts

Interesting Facts about 2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

This fascinating compound is known for its unique structure and potential applications in medicinal chemistry. Here are some intriguing insights into this complex molecule:

  • Structural Diversity: The presence of both purine and tetrahydrofuran moieties in its structure highlights the compound's ability to mimic natural substances, which can be crucial in drug design.
  • Biological Significance: Compounds like this one may serve as vital pharmacological agents. They could potentially interact with biological systems in ways that facilitate cellular signaling or inhibit certain diseases.
  • Research Potential: Given the amalgamation of a cyclohexylamino group, this compound could offer a scaffold for developing new therapies targeting a variety of ailments, especially those involving nucleic acid structures.
  • Hydroxymethyl Functionality: The hydroxymethyl group enhances the compound's reactivity and solubility, making it an interesting candidate for further functionalization or modification.
  • Screening Approaches: Scientists often use such compounds in high-throughput screening to identify novel drug candidates, paving the way for future therapeutic innovations.

As noted by researchers in the field, understanding the subtle interactions within such molecular architectures can lead to significant breakthroughs in medicinal chemistry: "The magic often lies in the details of molecular design."

Overall, 2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol is a striking example of how organic chemistry can be leveraged to create complex compounds with significant biological implications.

Synonyms
2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
2-[6-(cyclohexylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
n-cyclohexyl-9-pentofuranosyl-9h-purin-6-amine
N6-Cyclohexyladenosine?
Oprea1_171896
REGID_for_CID_2692
MLS001049080
CHEMBL440791
CHEBI:108287
HMS2270J15
STL525170
AKOS037494071
SMR000386917
AB00637163-07
L001051
Q27186986