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Etoricoxib

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Identification
Molecular formula
C18H15FO3
CAS number
202409-33-4
IUPAC name
3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
State
State

At room temperature, Etoricoxib is in a solid state.

Melting point (Celsius)
134.00
Melting point (Kelvin)
407.20
Boiling point (Celsius)
517.10
Boiling point (Kelvin)
790.30
General information
Molecular weight
358.37g/mol
Molar mass
358.3720g/mol
Density
1.5630g/cm3
Appearence

Etoricoxib appears as a white or almost white crystalline powder.

Comment on solubility

Solubility of 3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid

The compound 3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid, with the chemical formula C18H15FO3, demonstrates interesting solubility characteristics that can be attributed to its intricate molecular structure.

Considering its functional groups and overall architecture, we can highlight the following key points regarding its solubility:

  • Solvent Interaction: Due to the presence of both the sulfonamide and carboxylic acid functional groups, this compound is likely to exhibit hydrophilic properties, enhancing its solubility in polar solvents such as water.
  • Hydrophobic Regions: The bulky aromatic systems and tetrahydrocarbazole structure may also lead to substantial hydrophobic interactions, which could hinder solubility in non-polar solvents.
  • pH Dependence: The solubility of the carboxylic acid part of the molecule may vary with pH levels. In acidic conditions, the compound is likely to remain unionized, whereas an increase in pH can lead to deprotonation, increasing its solubility in aqueous environments.
  • Temperature Influence: Generally, increasing temperature may enhance solubility for many organic compounds, and thus careful consideration should be given to this variable in practical applications.

In conclusion, while the solubility of 3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid can be robust in polar solvents, its overall behavior will be influenced by the balance between its hydrophilic and hydrophobic characteristics. This complex interplay is essential for understanding its practical applications in various chemical and pharmaceutical contexts.

Interesting facts

Interesting Facts about 3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid

This intriguing compound belongs to a class of chemical entities known for their diverse pharmacological properties. Its unique structure incorporates a tetrahydrocarbazole moiety, which is often found in biologically active compounds and natural products.

Key Features

  • Fluorine Substituent: The presence of a fluorine atom, specifically at the para position of the phenyl ring, can significantly enhance the lipophilicity and metabolic stability of the compound, making it a potential candidate for drug development.
  • Sulfonamide Functionality: The sulfonamido group plays a crucial role in the compound's biological activity, often associated with antibacterial and diuretic properties in various pharmaceuticals.
  • Tetrahydrocarbazole: This bicyclic structure is notable for its ability to mimic neurotransmitters, thus it is often explored in neuropharmacology research, focusing on neurological disorders.

Moreover, compounds like this one are often part of research aiming to discover novel treatments. The combination of the carbazole moiety with the sulfonamide and the fluorophenyl groups provides a rich landscape for studying structure-activity relationships (SAR).

Research Directions

Given its complex structure, scientists are keen on exploring:

  • Potential anticancer properties, as many related structures have shown efficacy against various cancer cell lines.
  • Neuroprotective effects due to its potential influence on neurotransmitter systems.
  • Applications in medicinal chemistry as a basis for developing new drugs for a range of diseases.

As Albert Einstein once said, "The important thing is not to stop questioning. Curiosity has its own reason for existence." This compound embodies that spirit of inquiry, with endless possibilities waiting to be uncovered in the field of medicinal chemistry.

Synonyms
141281-95-0
3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
3R-[[(4-Fluorophenyl)sulfonyl]amino]-1,2,3,4-tetrahydro-9H-carbazole-9-propanoic acid
LDXDSHIEDAPSSA-UHFFFAOYSA-N
SCHEMBL29031
BAY-u3405
CHEMBL298483
DTXSID10861240
(R)-3-[3-(4-Fluorophenylsulphonylamino)-1,2,3,4-tetrahydrocarbazol- 9-yl]propionic acid
BCP05553
Bay u 3406; Bay u-3405; BAY u3405
L001369
(R)-3-[3-(4-Fluorophenylsulphonylamino)-1,2,3,4-tetrahydrocarbazol-9-yl]propionic acid
3-{3-[(4-Fluorobenzene-1-sulfonyl)amino]-1,2,3,4-tetrahydro-9H-carbazol-9-yl}propanoic acid