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Docetaxel

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Identification
Molecular formula
C43H53NO14
CAS number
148408-66-6
IUPAC name
[(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(1-piperidyl)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
State
State

At room temperature, docetaxel is a solid, appearing as a crystalline powder. Due to its poor solubility in water, it often requires formulation in solutions or as part of nanoparticles for medical applications.

Melting point (Celsius)
232.00
Melting point (Kelvin)
505.15
Boiling point (Celsius)
350.00
Boiling point (Kelvin)
623.15
General information
Molecular weight
807.88g/mol
Molar mass
807.8780g/mol
Density
1.1000g/cm3
Appearence

Docetaxel appears as a white to faintly yellow crystalline powder. It is highly lipophilic and practically insoluble in water, which can make formulation and delivery challenging.

Comment on solubility

Solubility of [(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(1-piperidyl)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

This compound exhibits a complex solubility profile influenced by its unique molecular structure. Solubility can vary significantly based on several factors:

  • Polarity: The presence of functional groups such as methoxy and carbamate can enhance solubility in polar solvents like water, while the bulk of the tetracyclic structure may impart hydrophobic character.
  • Solvent Choice: Typically, organic solvents such as ethanol, methanol, or DMSO might dissolve the compound more effectively compared to water, due to their compatibility with organic functionalities.
  • Temperature: Increasing temperature often improves solubility for many compounds, thus raising the chances of successful dissolution in the chosen solvent.
  • pH Levels: The solubility may also change with pH, particularly for compounds with ionizable groups, affecting their degree of protonation and therefore their interaction with solvents.

In practical terms, it is advisable to conduct solubility tests in multiple solvents under varying conditions to determine the most effective solvent for this compound. As quoted by specialists, "The right solvent can make all the difference when it comes to achieving desired concentrations." Thus, careful consideration of each parameter is crucial for optimizing solubility.

Interesting facts

Interesting Facts About [(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(1-piperidyl)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

This compound presents a fascinating example of complex organic chemistry, highlighting the intricate relationship between structure and function in molecular design. It belongs to a class of molecules known for their diverse pharmacological properties, and its unique structure is a key to its potential applications.

Key Features

  • Structural Complexity: With multiple rings and functional groups, this compound is classified as a tetracyclic compound. The specific stereochemistry (denoted by R and S configurations) contributes significantly to its biological activity.
  • Biological Activity: Compounds of this nature are often evaluated for their efficacy in various therapeutic areas, particularly in the field of medicinal chemistry. The presence of the piperidine group suggests possible interaction with neurotransmitter receptors.
  • Research Importance: Researchers are continuously interested in structurally similar compounds as they hold promise in the development of new drugs. Their complex nature often leads to unique interactions with biological targets.

According to one researcher, "The design of such compounds introduces a whole new set of possibilities in pharmacology. Their intricate structures challenge conventional synthesis methods and inspire innovative approaches in drug development."

Applications

  • As a potential therapeutic agent, this compound could play a role in treating neurological conditions.
  • Its synthetic pathways may lead to the discovery of other compounds with improved efficacy and selective targeting abilities.

Overall, the study of [(7R,8S)-7-methoxy-12-methyl-10,13-dioxo-11-(1-piperidyl)-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate not only showcases the marvels of organic synthesis but also emphasizes the potential of complex molecules in medicinal chemistry.

Synonyms
DTXSID80961802
[8a-Methoxy-5-methyl-4,7-dioxo-6-(piperidin-1-yl)-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate