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Pralatrexate

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Identification
Molecular formula
C23H23N9O5
CAS number
146464-95-1
IUPAC name
[6-acetoxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate
State
State

Pralatrexate is typically a solid at room temperature with a white to off-white appearance, which is typical for many pharmacologically active agents.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.15
Boiling point (Celsius)
220.00
Boiling point (Kelvin)
493.15
General information
Molecular weight
482.51g/mol
Molar mass
482.5050g/mol
Density
1.2300g/cm3
Appearence

Pralatrexate appears as a white to off-white solid powder.

Comment on solubility

Solubility of 6-acetoxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl hexanoate (C23H23N9O5)

The solubility of 6-acetoxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl hexanoate is influenced by several factors, given its complex molecular structure. Understanding its solubility is crucial for practical applications, including formulation and reactivity.

Factors Influencing Solubility:

  • Molecular Structure: The presence of various functional groups such as esters and hydroxyl groups can significantly affect solubility. For instance, the acetoxy and butanoyloxy moieties may enhance solubility in organic solvents.
  • Polarity: Given the combination of polar and non-polar functionalities in the compound, it may exhibit preferential solubility in both polar (e.g., water) and non-polar solvents (e.g., hexane).
  • Temperature: Like many organic compounds, solubility typically increases with temperature, making heating an essential factor in practical applications.

While the specific solubility data for this compound is not widely documented, it can be anticipated that:

  • **Higher solubility might be observed in polar organic solvents** due to the hydroxyl groups.
  • **Limited solubility in water** could be expected as a result of the hydrophobic segments present in its structure.

In conclusion, understanding the solubility profile of this complex compound is essential for its potential applications in various chemical formulations and interactions. As always, experimental evaluation under controlled conditions is necessary to characterize its behavior in different solvents.

Interesting facts

Interesting Facts about 6-acetoxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl hexanoate

This complex chemical compound belongs to the family of furan and azulene derivatives, which are known not only for their unique structures but also for various biological activities. Here are some fascinating aspects that make this compound an intriguing subject of study:

  • Structural Complexity: The compound features a highly intricate molecular structure, marked by numerous functional groups including acetoxy, butanoyloxy, and hexanoate. Such a structure provides ample opportunity for modifications and effects, making it an interesting candidate for synthetic organic chemistry.
  • Biological Relevance: Many compounds in this class have been studied for their potential pharmacological properties. Research suggests that azulene derivatives may exhibit anti-inflammatory and antioxidant activities, making them of interest in medicinal chemistry.
  • Natural Occurrence: Azulene compounds are sometimes found in essential oils and can impart color and flavor. The extraction and synthesis of such compounds expand the potential for developing natural products in the pharmaceutical industry.
  • Potential Applications: Due to its structural features, this compound might be explored for applications in various fields including:
    • Drug formulation
    • Cosmetics
    • Aromatherapy

The study of such intricate compounds not only enhances our understanding of organic synthesis but also paves the way for discovering new therapeutic agents. As we venture deeper into the realm of complex organic molecules, the potential for innovation and discovery remains unlimited.

"In every molecule, there exists a story waiting to be told," a sentiment that truly resonates when examining compounds like this one.

Synonyms
thapsigargicin
67526-94-7
CHEBI:201430
[6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate
[(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]uran-7-yl] hexanoate