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Protease Inhibitor

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Identification
Molecular formula
C30H42N4O7
CAS number
244083-20-1
IUPAC name
benzyl N-[1-[[[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]carbamoylamino]carbamoyl]-3-methyl-butyl]carbamate
State
State

At room temperature, this compound is in a solid state.

Melting point (Celsius)
141.00
Melting point (Kelvin)
414.15
Boiling point (Celsius)
514.70
Boiling point (Kelvin)
787.85
General information
Molecular weight
569.65g/mol
Molar mass
569.6520g/mol
Density
1.1200g/cm3
Appearence

This compound typically appears as a white to off-white powder.

Comment on solubility

Solubility of Benzyl N-[1-[[[[2-(Benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]carbamoylamino]carbamoyl]-3-methyl-butyl]carbamate

The solubility of benzyl N-[1-[[[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]carbamoylamino]carbamoyl]-3-methyl-butyl]carbamate (C30H42N4O7) can be quite complex due to its intricate structure.

Generally, the solubility of compounds like this can be influenced by several factors:

  • Molecular Structure: The presence of functional groups, such as carbamates and benzyloxycarbonylamino moieties, can notably affect solubility.
  • Polarity: The balance between hydrophilic (water-attracting) and hydrophobic (water-repelling) parts of the molecule plays a significant role in determining solubility in various solvents.
  • Temperature: Increasing temperature often enhances solubility; however, the effect can vary based on the compound.
  • pH Levels: The ionization state of certain groups may change with pH, influencing solubility. For example, amino groups can gain or lose protons, affecting solubility in water.

In many cases, the solubility of such compounds in aqueous environments tends to be limited due to their overall hydrophobic nature, yet they may dissolve better in organic solvents, demonstrating the importance of selecting the right solvent for applications.

Understanding the solubility behavior of complex structures is crucial, as it not only impacts the formulation and delivery of the compound but also influences biological activity and therapeutic efficacy.

Interesting facts

Interesting Facts about Benzyl N-[1-[[[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]carbamoylamino]carbamoyl]-3-methyl-butyl]carbamate

Benzyl N-[1-[[[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]carbamoylamino]carbamoyl]-3-methyl-butyl]carbamate is a fascinating compound primarily known for its role in medicinal chemistry. Below are some captivating aspects of this intricate structure:

  • Complex Structure: This compound features numerous functional groups, including amides, which play significant roles in biological interactions. The multi-layered structure makes it an ideal candidate for studying structure-activity relationships.
  • Potential Therapeutic Applications: Due to its unique configuration, it can be engineered for **drug delivery systems**. The incorporation of benzyloxycarbonyl groups can enhance enzymatic stability and cellular uptake.
  • Mechanism of Action: The molecule could potentially interact with specific receptors due to its intricate design. Understanding its molecular interactions may lead to the development of new pharmaceutical agents targeting diseases, particularly in oncology or neurology.
  • Synthesis Challenges: The synthesis of this compound requires a series of complex reactions, each yielding its own challenges. From protecting groups to coupling reactions, mastering the synthesis necessitates advanced techniques and deep knowledge of organic chemistry.
  • Research Opportunities: This compound can serve as a starting point for synthetic chemists looking to explore modifications that might enhance its biological efficacy or reduce side effects. It highlights the importance of iterative design in the field of **drug discovery**.

In summary, Benzyl N-[1-[[[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]carbamoylamino]carbamoyl]-3-methyl-butyl]carbamate serves not just as a compound of theoretical interest but also as a potential foundation for groundbreaking therapeutic advances in medicine. Its complexity and potential applications are what make it a subject of enduring intrigue in contemporary chemical research.

Synonyms
CHEMBL2316588
SCHEMBL21067894
PD040750