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Ticagrelor

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Identification
Molecular formula
C23H28N6O4S
CAS number
274693-27-5
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] but-2-enethioate
State
State

At room temperature, Ticagrelor is a solid substance, which is typically formulated into tablets for oral administration.

Melting point (Celsius)
158.00
Melting point (Kelvin)
431.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
522.58g/mol
Molar mass
522.4530g/mol
Density
1.5500g/cm3
Appearence

Ticagrelor appears as a white to off-white powder. It is not particularly soluble in water, which can impact its formulation and delivery in pharmaceutical applications.

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] but-2-enethioate

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] but-2-enethioate (C23H28N6O4S) can be influenced by several factors:

Factors Affecting Solubility

  • Polarity: Compounds with polar functional groups tend to exhibit higher solubility in polar solvents (such as water).
  • Molecular Weight: Generally, higher molecular weight can lead to decreased solubility.
  • pH of the Solution: The solubility of this compound may vary based on the pH, particularly due to the presence of acidic or basic functional groups.
  • Temperature: Increased temperature often enhances solubility, although this can vary based on the specific interactions between the molecules.

With such a complex structure, comprised of numerous functional groups, it is anticipated that the solubility profile of this compound will exhibit both hydrophilic and hydrophobic characteristics. This may result in an interesting solubility behavior, likely soluble in certain organic solvents while possibly facing challenges in aqueous environments.

In conclusion, understanding the solubility characteristics 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] but-2-enethioate necessitates consideration of its molecular structure and the specific conditions under which it is evaluated.

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] but-2-enethioate

This complex compound showcases the innovative intricacies of modern organic chemistry. Here are some fascinating aspects:

  • Structure Complexity: The compound features a multi-layered molecular architecture with several functional groups, including amino, hydroxy, and phosphonooxy moieties that play crucial roles in biological interactions.
  • Biological Relevance: The presence of the aminopurine structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceutical agents that target nucleotide pathways.
  • Enzyme Interactions: The phosphonooxy groups may interact with various enzymes in the body, indicating that this compound could potentially inhibit certain metabolic processes, opening doors for therapeutic exploration.
  • Applications in Biotechnology: The unique arrangement of carbon, nitrogen, oxygen, and sulfur atoms highlights its possible use in biochemistry, like acting as a substrate or inhibitor in biochemical pathways.

As evidenced by its intricate composition, the exploration 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] but-2-enethioate not only enhances our understanding of complex organic molecules but also illustrates the potential for groundbreaking discoveries in the fields of pharmacology and biotechnology.

Synonyms
DTXSID40869375
S-{1-[5-(6-Amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} but-2-enethioate