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3-aminocapecitabine (metabolite)

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Identification
Molecular formula
C10H13IN5O2
CAS number
208538-73-2
IUPAC name
3-amino-5-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
State
State

At room temperature, the compound is in a solid state. Due to its relatively high melting point, it remains stable and does not transition to liquid form under typical laboratory conditions. Special handling and storage conditions may be required due to its iodinated nature.

Melting point (Celsius)
316.00
Melting point (Kelvin)
589.00
Boiling point (Celsius)
617.00
Boiling point (Kelvin)
890.00
General information
Molecular weight
382.11g/mol
Molar mass
382.1070g/mol
Density
2.4500g/cm3
Appearence

The compound is typically a solid at room temperature, often presenting as a crystalline powder. The appearance may be distinguished by its white to off-white color. It is commonly supplied in this fine powder form for ease of handling and processing in a laboratory context.

Comment on solubility

Solubility of 3-amino-5-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol

The solubility of 3-amino-5-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol (C10H13IN5O2) can be influenced by several factors, primarily due to its unique structural characteristics. Here are some key points to consider:

  • Polarity: The presence of hydroxyl (-OH) groups may increase the overall polarity of the compound, enhancing its capacity to dissolve in polar solvents such as water.
  • Hydrogen Bonding: The -OH groups can engage in extensive hydrogen bonding with solvent molecules, which could further facilitate solubility.
  • Influence of Iodine: The iodine atom substituted in the structure may affect solubility due to its size and electronegativity, possibly leading to decreased interactions with some solvents.
  • Solvent Compatibility: The compound's solubility may be higher in polar solvents; thus, solvents like methanol or ethanol could be more effective in dissolving this compound.

Overall, while predicting the exact solubility can be challenging without empirical data, it is likely that this compound would exhibit varied solubility profiles depending on the solvent used, thereby highlighting the necessity for experimental verification in practical applications.

Interesting facts

Interesting Facts about 3-amino-5-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol

This compound is a fascinating example of a complex organic molecule that features multiple functional groups and structural components. As a chemical scientist or student, one can appreciate its potential applications in medicinal chemistry and pharmaceuticals due to its intricate structure. Here are some highlights:

  • Medicinal Potential: The presence of the pyrrolo[2,3-d]pyrimidin moiety suggests bioactivity, as many pyrimidine derivatives exhibit antitumor and antiviral activities.
  • Iodine Incorporation: The iodine atom in the structure can enhance biological activity and improve imaging capabilities in medicinal applications.
  • Cyclopentane Framework: The cyclopentane ring provides rigidity to the compound, which can be beneficial for binding interactions with biological targets.
  • Multiple Amino Groups: The numerous amino groups introduce basicity and the ability to form hydrogen bonds, which are crucial for molecular recognition processes.
  • Impact on Drug Design: The unique combination of features may inspire the design of novel drugs that target specific biological pathways or improve the selectivity of existing therapies.

As with many complex chemical compounds, understanding its reactivity and interactions at the molecular level can pave the way for groundbreaking discoveries in drug development and disease treatment. Quotes from researchers often highlight the importance of such compounds in advancing scientific knowledge and improving the quality of life:

"The beauty of chemistry lies in its ability to combine simple elements into complex structures that can have profound effects on human health."

This compound exemplifies the intricate balance of structure and function found in medicinal chemistry, making it an exciting topic for further study.