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Methotrexate

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Identification
Molecular formula
C20H22N8O5
CAS number
59-05-2
IUPAC name
2-[[4-(3-amino-1,9-dioxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid
State
State

At room temperature, Methotrexate is typically a solid.

Melting point (Celsius)
125.00
Melting point (Kelvin)
398.15
Boiling point (Celsius)
303.00
Boiling point (Kelvin)
576.15
General information
Molecular weight
454.44g/mol
Molar mass
454.4400g/mol
Density
1.4100g/cm3
Appearence

Methotrexate is a bright yellow to orange crystalline powder.

Comment on solubility

Solubility of 2-[[4-(3-amino-1,9-dioxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid

The solubility of the compound with the formula C20H22N8O5 can vary significantly based on various factors. Here is a closer look at its solubility characteristics:

  • Solvent Dependency: This compound may exhibit different solubility profiles in various solvents, such as water, ethanol, or dimethyl sulfoxide (DMSO).
  • Temperature Effects: Generally, solubility can increase with temperature, thus affecting how well the compound dissolves in the solvent of choice.
  • pH Influence: The solubility might be highly pH-dependent due to the acidic groups present in the structure, making it more soluble in either acidic or alkaline environments.

Additionally, the presence of functional groups like carboxylic acids can enhance solubility in polar solvents. As noted, compounds in the field of medicinal chemistry often exhibit complex solubility behaviors which need careful consideration during formulation. Therefore, while predicting solubility may seem straightforward, it can often involve multi-faceted interactions that influence the dissolution process.


In summary, understanding the solubility of this compound is crucial for its potential applications and efficacy in various environments.

Interesting facts

Interesting Facts About 2-[[4-(3-amino-1,9-dioxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid

This compound represents a fascinating intersection of organic chemistry and medicinal applications. It exhibits properties that could be leveraged in biochemistry and pharmacology. Here are some noteworthy elements regarding this compound:

  • Diverse Structure: The presence of an imidazo[1,5-f]pteridin moiety suggests potential interactions with biological targets, particularly in nucleic acid binding and enzyme inhibition systems.
  • Amino Acid Composition: The amino functionalities in the molecule may contribute to its bioactivity, mimicking natural amino acid interactions within biological systems.
  • Potential Antitumor Activity: Research indicates that similar compounds have been studied for their *antitumor* effects. Understanding the mechanism of action may lead to new cancer therapies.
  • Complexity and Synthesis: The synthetic pathway to create this compound is remarkable and may involve multiple steps, including the formation of various functional groups which can complicate purification.
  • Future Research: Scientists are continually exploring this class of compounds for new pharmaceutical applications, especially in developing treatments for diseases where current modalities are ineffective.

In summary, 2-[[4-(3-amino-1,9-dioxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid serves as a model for innovation in pharmaceutical chemistry. Its rich structural features present both challenges and opportunities in drug development.