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Dacarbazine Hydrochloride

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Identification
Molecular formula
C15H23ClN8O5
CAS number
554-00-7
IUPAC name
ethyl 4-[2,4-diamino-6-[5-[2-chloroethyl(ethyl)amino]pentylamino]pyrimidin-5-yl]azobenzoate;hydrochloride
State
State

The compound is generally in a solid state at room temperature.

Melting point (Celsius)
257.00
Melting point (Kelvin)
530.15
Boiling point (Celsius)
320.00
Boiling point (Kelvin)
593.15
General information
Molecular weight
327.81g/mol
Molar mass
327.8070g/mol
Density
1.2600g/cm3
Appearence

The compound usually appears as an orange crystalline powder. It can also have a reddish-brown hue depending on purity and environmental conditions.

Comment on solubility

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

The solubility of ethyl 4-[2,4-diamino-6-[5-[2-chloroethyl(ethyl)amino]pentylamino]pyrimidin-5-yl]azobenzoate hydrochloride is influenced by various factors due to its complex molecular structure. Generally speaking, compounds that contain both hydrophilic (water-attracting) and hydrophobic (water-repelling) regions can exhibit unique solubility profiles.

Key Points on Solubility:

  • Hydrochloride Salt Form: The hydrochloride form typically enhances solubility in water compared to its base form, allowing for increased bioavailability.
  • Polar and Non-polar Groups: The presence of polar amino groups and non-polar ethyl chains may lead to moderate solubility in polar solvents, while solubility in non-polar solvents may be low.
  • pH Dependency: Solubility can vary with changes in pH due to the ionization of the amino groups, which affects interactions with water molecules.
  • Temperature Influence: Generally, increasing the temperature can increase solubility as it provides more energy for the solute to disperse in the solvent.

In practical terms, "like dissolves like," meaning that this compound is likely to dissolve well in aqueous solutions, especially in physiological conditions, but may face challenges in purely non-polar environments. Therefore, careful consideration of solvent choice is essential for effective use.

Interesting facts

Interesting Facts about Ethyl 4-[2,4-Diamino-6-[5-[2-Chloroethyl(ethyl)amino]pentylamino]pyrimidin-5-yl]azobenzoate; Hydrochloride

This compound, often referred to in the context of advanced pharmaceutical applications, exhibits a remarkable combination of functionalities that are of great interest in medicinal chemistry. Here are some fascinating insights:

  • Drug Development: The presence of multiple amino groups suggests potential for various interactions with biological targets, making this compound a subject of research in drug design.
  • Mechanism of Action: Its azobenzoate structure may contribute to biological activity by facilitating electron transfer processes, which are essential in many biochemical reactions.
  • Target Specificity: The intricate design, including pyrimidine and chlorinated moieties, indicates that this compound could be tailored for selective binding to specific receptors or enzymes, enhancing therapeutic efficacy while minimizing side effects.
  • Stability Considerations: The hydrochloride salt form often improves the solubility and stability of the compound, which is crucial for its bioavailability when administered as a drug.
  • Multifunctionality: The unique combination of functional groups allows for modifications that can improve pharmacokinetic properties. Such modifications can lead to derivatives with enhanced action or reduced toxicity.

In summary, ethyl 4-[2,4-diamino-6-[5-[2-chloroethyl(ethyl)amino]pentylamino]pyrimidin-5-yl]azobenzoate; hydrochloride is not just a complex chemical structure; it represents the intricate dance of chemistry and biology in the development of targeted therapeutics. As one of the future stars in medicinal chemistry, the potential of this compound continues to captivate scientists.

Synonyms
19581-15-8
Benzoic acid, p-((2,4-diamino-6-((5-((2-chloroethyl)ethylamino)pentyl)amino)-5-pyrimidinyl)azo)-, ethyl ester, hydrochloride, hydrate (2:2:3)