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Epirubicin hydrochloride

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Identification
Molecular formula
C37H40ClN3O11
CAS number
25316-40-9
IUPAC name
ethyl 4-[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]azobenzoate;hydrochloride
State
State

The compound exists as a solid at room temperature.

Melting point (Celsius)
268.00
Melting point (Kelvin)
541.15
Boiling point (Celsius)
520.00
Boiling point (Kelvin)
793.15
General information
Molecular weight
579.99g/mol
Molar mass
579.9890g/mol
Density
1.2750g/cm3
Appearence

This compound typically appears as a red-orange, crystalline powder.

Comment on solubility

Solubility of Ethyl 4-[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]azobenzoate;hydrochloride

The solubility of ethyl 4-[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]azobenzoate;hydrochloride is influenced by several factors, given its complex molecular structure. Here are some notable points regarding its solubility:

  • Polarity: Due to the presence of polar functional groups, such as amino and hydrochloride, this compound tends to have increased solubility in polar solvents like water.
  • Hydrochloride Form: Being a hydrochloride salt enhances solubility in aqueous solutions compared to the free base form.
  • Temperature Dependency: Generally, the solubility may increase with temperature, which is important in dissolution processes.
  • pH Influence: The solubility may also be affected by pH levels; under acidic conditions, the degree of ionization is higher, facilitating greater solubility.

In summary, the compound's unique structure and the presence of hydrophilic components often result in favorable solubility characteristics in suitable solvents. Therefore, it is essential to consider both the solvent type and environmental conditions when assessing the solubility of this particular compound.

Interesting facts

Exploring Ethyl 4-[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]azobenzoate; Hydrochloride

This compound, often recognized for its complex structure, plays a significant role in medicinal chemistry, particularly in the field of cancer research. Here are some intriguing aspects:

  • Targeted Therapy: The unique combination of amino and benzene groups in this compound makes it a candidate for targeted therapy. Compounds like these can be designed to specifically bind to cancer cells, minimizing damage to healthy tissue.
  • Structure-Activity Relationship (SAR): The intricate arrangement of functional groups within the molecule allows for an extensive study in SAR, helping chemists understand how structural variations affect biological activity.
  • Role of Chlorine: The presence of a chlorine atom in the structure often enhances the compound's potency or selectivity. Chlorinated molecules can exhibit increased lipophilicity, improving their ability to penetrate cellular membranes.
  • Biological Importance: Compounds similar to this one contribute to the development of pharmaceuticals that target specific pathways in cancer cells, showing potential in blocking tumor growth.
  • Research Significance: The ongoing research involving this compound and its analogs holds promise for the development of new therapies, showcasing how significant molecular alterations can lead to groundbreaking advancements in treatment options.
  • Applications Beyond Oncology: While primarily noted for its potential in cancer detection and treatment, the complex interactions suggested by its structure may offer benefits in other therapeutic areas, including autoimmune diseases and infectious diseases.

In the world of medicinal chemistry, compounds like ethyl 4-[2,4-diamino-6-[6-[2-chloroethyl(ethyl)amino]hexylamino]pyrimidin-5-yl]azobenzoate; hydrochloride represent just a small fraction of the vast landscape of possibilities, emphasizing the importance of continued research and innovation in pharmaceutical development.

Synonyms
19581-16-9
Benzoic acid, p-((2,4-diamino-6-((6-((2-chloroethyl)ethylamino)hexyl)amino)-5-pyrimidinyl)azo)-, ethyl ester, hydrochloride, hydrate (2:2:3)