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Atazanavir

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Identification
Molecular formula
C38H52N6O7S
CAS number
198904-31-3
IUPAC name
S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 2-methylbutanethioate
State
State

At room temperature, Atazanavir is typically in a solid crystalline state.

Melting point (Celsius)
194.00
Melting point (Kelvin)
467.15
Boiling point (Celsius)
727.10
Boiling point (Kelvin)
1 000.30
General information
Molecular weight
802.94g/mol
Molar mass
802.8770g/mol
Density
1.5310g/cm3
Appearence

Atazanavir typically appears as a white to pale yellow crystalline powder.

Comment on solubility

Solubility of S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 2-methylbutanethioate

The solubility of the compound S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 2-methylbutanethioate (C38H52N6O7S) can be quite complex due to its intricate molecular structure. Generally, several factors influence the solubility of such compounds:

  • Polarity: The presence of polar functional groups, such as hydroxyl (-OH) and phosphate groups, often increases the solubility in polar solvents, particularly water.
  • Molecular Weight: The large molecular size may hinder solubility in some organic solvents, making it less soluble compared to smaller fragments.
  • Hydrogen Bonding: The capability to form hydrogen bonds can enhance solubility in aqueous environments, especially for pharmaceuticals.

Nevertheless, it is essential to conduct empirical tests to ascertain solubility in specific solvents to achieve reliable data. Typically, compounds with a combination of hydrophilic and hydrophobic segments illustrate varied solubility profiles, leading to what is often described as “solubility challenges”. Overall, understanding the solubility behavior of this compound is crucial for its applications in biochemical contexts and therapeutic formulations.

Interesting facts

Interesting Facts About S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] 2-methylbutanethioate

This compound represents a fascinating combination of organic and inorganic chemistry, showcasing the incredible complexity found in biochemical structures. Here are some key points that highlight its significance:

  • Biochemical Relevance: The presence of a purine derivative in the structure suggests that it could be involved in nucleic acid metabolism or act as a precursor for nucleotide synthesis, making it relevant in the field of molecular biology.
  • Phosphorylation Sites: With multiple phosphoryl groups, this compound may play a role in cellular signaling pathways, as phosphorylation is a critical post-translational modification influencing protein function.
  • Structure-Activity Relationship: Understanding the relationship between its complex structure and biological activity can yield insights into developing pharmaceuticals, particularly in the treatment of diseases related to nucleic acid metabolism.
  • Potential Therapeutic Uses: Compounds with similar structures have been studied for their potential in anti-cancer and antiviral therapies. The unique structural motifs may confer distinct biological activities.

As noted by scientists in the field, "The intricate interplay of functional groups in this compound provides a scaffold for designing more effective drugs that target specific biological processes."

In summary, the complexity of this compound not only illustrates the beauty of chemical architecture but also emphasizes its potential for impacting health and medicine significantly.

Synonyms
2-methylbutyryl-CoA
SCHEMBL2935253
Q2813821