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Cladribine

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Identification
Molecular formula
C10H12ClN5O3
CAS number
4291-63-8
IUPAC name
2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
State
State

Cladribine is typically in the form of a solid at room temperature, usually as a powder suitable for pharmaceutical manufacturing.

Melting point (Celsius)
220.00
Melting point (Kelvin)
493.15
Boiling point (Celsius)
400.00
Boiling point (Kelvin)
673.15
General information
Molecular weight
285.69g/mol
Molar mass
285.6860g/mol
Density
1.9108g/cm3
Appearence

Cladribine typically appears as a white to off-white crystalline powder. It is quite stable when kept under recommended conditions.

Comment on solubility

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

The solubility of the compound 2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (C10H12ClN5O3) can be quite complex due to its unique molecular structure. When analyzing its solubility, consider the following aspects:

  • Polarity: The presence of multiple functional groups, such as hydroxymethyl and amine groups, suggests that the compound may exhibit significant polarity, potentially leading to good solubility in polar solvents like water.
  • Hydrogen bonding: The hydroxymethyl group can participate in hydrogen bonding, further enhancing solubility in aqueous environments.
  • Chlorine atom influence: The presence of the chlorine atom may affect the electron distribution in the molecule, impacting its overall solubility profile.
  • Hydrophobic interactions: The cyclopentyl group can introduce hydrophobic characteristics, which might lower solubility in polar solvents while potentially favoring solubility in nonpolar solvents.

In conclusion, while the compound may show variable solubility depending on the solvent used, its structural features indicate a tendency towards solubility in polar solvents. Understanding these interactions can be crucial for applications in pharmaceutical and biochemical fields.

Interesting facts

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

This compound is a fascinating member of the purine family, which is well-known for its roles as the building blocks of nucleic acids like DNA and RNA. The structural complexity of this compound can be attributed to its multiple functional groups, which bring about various chemical properties and biological activities.

Key Features:

  • Functional Diversity: The presence of both the purine structure and a tetrahydrofuran ring makes this compound unique. The hydroxymethyl group adds to its hydrophilicity, potentially impacting its interaction with biological systems.
  • Biological Relevance: Compounds like this often serve as important pharmacophores in medicinal chemistry, acting on specific biological targets. Its chlorinated derivative suggests that it may possess enhanced reactivity or biological activity, making it a candidate for further scientific exploration.
  • Potential Applications: The compound holds potential in the realm of therapeutic agents, particularly in the fields of oncology and virology, by potentially modulating cellular pathways or inhibiting viral replication.

As noted by researchers, “The structural modifications can greatly affect the compound's affinity for its target, leading to variations in efficacy.” This emphasizes the importance of understanding structural nuances in drug design and development.

Research Opportunities:

Given its unique attributes, there is ample room for research in the following areas:

  • Mechanism of Action: Detailed studies could reveal how this compound interacts at the molecular level with specific targets.
  • Structure-Activity Relationship (SAR): Investigating how modifications to the structure influence biological activity could yield valuable insights for designing new therapeutics.
  • Formulation Development: Understanding solubility and stability could lead to effective delivery systems for clinical applications.

In conclusion, 2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol is not just a chemical compound; it represents a nexus of structural diversity and potential therapeutic utility that beckons further investigation. Its journey in the laboratory could unveil new frontiers in pharmacology and biochemistry.

Synonyms
2-[2-chloro-6-(cyclopentylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
2-[2-chloro-6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SCHEMBL2492838
2-(2-Chloro-6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
CHEBI:111161
HMS3268A08
BDBM50008415
DB-049183
L000165
BRD-A16827030-001-01-7
Q27190589
2-[2-chloro-6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol