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Daclatasvir

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Identification
Molecular formula
C40H53Cl4N7O6
CAS number
1009119-65-6
IUPAC name
4-[2-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboxamidine;dihydrochloride
State
State

At room temperature, Daclatasvir dihydrochloride is typically in a solid state. It is formulated into products for medicinal use.

Melting point (Celsius)
150.00
Melting point (Kelvin)
423.00
Boiling point (Celsius)
350.00
Boiling point (Kelvin)
623.00
General information
Molecular weight
811.77g/mol
Molar mass
811.7700g/mol
Density
1.4800g/cm3
Appearence

Daclatasvir dihydrochloride typically appears as a white to off-white powder. It is generally provided in a solid form suitable for formulation in medicinal products.

Comment on solubility

Solubility of 4-[2-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboxamidine; dihydrochloride

The solubility of 4-[2-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboxamidine; dihydrochloride can be generally described as follows:

  • Solvent Compatibility: This compound exhibits a higher likelihood of being soluble in **polar solvents** such as water and methanol due to the presence of multiple functional groups that can engage in hydrogen bonding.
  • Ionic Nature: Being a dihydrochloride, the presence of two hydrochloride groups enhances its solubility in aqueous solutions, as it increases the ionization of the compound.
  • pH Influence: The solubility may be affected by the pH of the solution; this compound may demonstrate different solubility behavior under acidic versus neutral or basic conditions.
  • Temperature Effects: Like many other chemical compounds, increased temperature generally improves solubility, so it may be beneficial to assess solubility at various temperatures for optimal performance.

In conclusion, while specific quantitative data may be limited, the structural characteristics suggest that this compound is likely to be soluble in polar solvents, particularly under conditions favoring ionization. It is advisable to conduct empirical solubility tests in the relevant solvent systems for practical applications.

Interesting facts

Interesting Facts about 4-[2-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboxamidine; dihydrochloride

This compound is a fascinating example of a complex organic molecule, mainly due to its intricate structure and potential biological applications. The compound is a derivative of piperazine, which has been extensively studied for its pharmacological properties. Here are some engaging facts about it:

  • Pharmacological Significance: Compounds like this one often exhibit characteristics that may be useful in medicinal chemistry, particularly in the development of therapeutics against various diseases.
  • Structure Diversity: The presence of multiple functional groups, including amino and carbamimidoyl units, contributes to its unique reactivity and biological interactions. Such structural diversity can lead to varied mechanisms of action.
  • Potential Applications: Research into piperazine derivatives has revealed roles in treating conditions such as depression, anxiety, and even some cancers. This compound, with its specific substitutions, is believed to possess unique bioactivities worth exploring.
  • Chlorine Substitution: The incorporation of chlorine in the phenyl ring enhances the lipophilicity of the molecule, which may improve its ability to cross biological membranes, thereby impacting its efficacy in a clinical setting.
  • Synthesis Challenges: The synthesis of such multi-substituted piperazine derivatives can be quite challenging in the laboratory, requiring precise techniques and conditions to ensure that each functional group is introduced correctly.

As quoted in research circles, “The complexity of organic compounds often holds the key to their biological function.”
This underscores the importance of exploring compounds like this one, as their intricate structures may lead to discoveries that could revolutionize medicinal therapies.

In conclusion, 4-[2-[[amino-[[amino-(4-chloroanilino)methylene]amino]methylene]amino]ethyl]-N'-[N'-(4-chlorophenyl)carbamimidoyl]piperazine-1-carboxamidine; dihydrochloride is much more than just a chemical formula; it is a portal to exciting possibilities in the field of drug discovery and development.