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Indinavir

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Identification
Molecular formula
C36H47N5O4
CAS number
150378-17-9
IUPAC name
4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[2-(1,1-dimethylpropoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid
State
State
Solid at room temperature, typically handled as a fine crystalline powder in pharmaceutical applications.
Melting point (Celsius)
150.00
Melting point (Kelvin)
423.00
Boiling point (Celsius)
508.60
Boiling point (Kelvin)
781.80
General information
Molecular weight
613.79g/mol
Molar mass
613.7910g/mol
Density
1.2600g/cm3
Appearence

Indinavir generally appears as a white to off-white crystalline powder. It is known for its characteristic crystalline form often seen in its pharmaceutical preparations.

Comment on solubility

Solubility Characteristics of the Compound

The compound 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[2-(1,1-dimethylpropoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid, designated by the formula C36H47N5O4, exhibits unique solubility properties that are crucial for its application in various chemical contexts.

General Solubility Insights

  • Polarity Considerations: The compound contains multiple polar functional groups, which may enhance its solubility in polar solvents, such as water.
  • Hydrophobic Elements: The presence of aromatic and aliphatic hydrocarbon components can introduce hydrophobic characteristics, possibly limiting solubility in aqueous solutions.
  • pH Influence: The carboxylic acid group in the structure can influence solubility depending on the pH. It is likely to be more soluble in acidic conditions where the carboxyl group is protonated.
  • Van der Waals Forces: Intermolecular forces between molecules, such as hydrogen bonding and dipole interactions, play a significant role in solubility behavior.

In summary, the solubility of this compound is likely to vary significantly based on the solvent used and the environmental conditions, especially pH. It is essential to conduct empirical experiments to determine the precise solubility features, as theoretical predictions might not encompass the full complexity of the interactions at play.

Interesting facts

Interesting Facts About 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[2-(1,1-dimethylpropoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid

This compound showcases the intricate world of medicinal chemistry and the design of bioactive molecules. Its complexity can be attributed to:

  • Multi-faceted Structure: The compound features a unique blend of functional groups and a complex backbone, contributing to its potential pharmacological activities.
  • Indole Derivative: The presence of an indole ring, a fundamental core in many natural products, hints at the compound's potential interaction with biological systems, possibly impacting serotonin pathways.
  • Amino Acid Motifs: It contains multiple amino acids, suggesting it might interact with protein targets or enzymes, emphasizing its intended use in drug development.
  • Sulfanyl Group: The inclusion of a methylsulfanyl group can modify the electronic properties of the molecule, potentially improving its lipophilicity and facilitating cell membrane penetration.

One striking aspect of this compound is its potential role in therapeutic applications. Scientists are actively exploring compounds with complex structures like this as candidates for:

  1. Cancer Treatment: Many of the components could be designed to target specific cancer cells, showcasing the trend towards personalized medicine.
  2. Antimicrobial Activities: Its diverse functionalities make it a candidate for developing new antimicrobial agents to combat resistant bacteria.
  3. Neurological Research: Given the indole's structural significance, this compound may play a role in the study of neurotransmitter functions and related disorders.

In conclusion, 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[2-(1,1-dimethylpropoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid serves as a testament to the creativity and innovation in the field of chemistry. As researchers delve deeper into its properties, we may uncover significant insights that could pave the way for advancements in pharmaceuticals and therapeutic strategies.

Synonyms
DTXSID90860190
N-{[(2-methylbutan-2-yl)oxy]carbonyl}tryptophylmethionyl-alpha-aspartylphenylalaninamide