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Pemetrexed

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Identification
Molecular formula
C20H21N5O6
CAS number
137281-23-3
IUPAC name
2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
State
State

At room temperature, pemetrexed is normally encountered as a solid.

Melting point (Celsius)
220.00
Melting point (Kelvin)
493.20
Boiling point (Celsius)
820.90
Boiling point (Kelvin)
1 094.00
General information
Molecular weight
427.43g/mol
Molar mass
427.4260g/mol
Density
2.0000g/cm3
Appearence

Pemetrexed is a white to almost white solid.

Comment on solubility

Solubility of 2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid

The solubility of 2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid can be influenced by several factors, often making it a complex topic. This compound, known for its intricate structure, shows varying solubility characteristics depending on its environment.

Key factors affecting solubility:

  • Polarity: The presence of polar functional groups can enhance solubility in polar solvents.
  • Temperature: Increasing temperature generally increases solubility, especially for solid compounds.
  • pH: Since this compound has acidic functional groups, changes in pH can significantly affect its ionization and, consequently, its solubility.
  • Concentration of solutes: The solubility may be limited when other solutes are present, leading to decreased solubility.

In general, compounds with a complex structure, like this one, may exhibit limited solubility in common solvents such as water. However, upon modification of the conditions mentioned above, it may be possible to enhance its solubility. In practical applications, understanding the solubility profile is essential for determining the efficacy and usability of the compound.

As a conclusion, the solubility of 2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid is not straightforward, and researchers must consider a combination of these factors to fully understand its behavior in various environments.

Interesting facts

Interesting Facts about 2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid

This compound, with its complex structure, holds significance in both medicinal chemistry and pharmacology. Here are some intriguing aspects:

  • Pharmaceutical Potential: This compound is part of a class of molecules that exhibit promising activity as anti-cancer agents. Its ability to target specific pathways in cancer cells makes it a candidate for further research and development.
  • Quinazoline Derivative: The compound features a quinazoline moiety, which is known for its versatility in medicinal chemistry. Quinazolines often demonstrate various biological activities, including antitumor, antimicrobial, and antifungal properties.
  • Amino Acid Backbone: The incorporation of amino acid residues like butanedioic acid allows for potential interactions with biological targets, which can enhance its bioactivity. This design could lead to compounds with improved selectivity and efficacy.
  • Structure-Activity Relationship (SAR): Understanding the SAR of such compounds is crucial. By modifying different parts of the molecular structure, scientists can optimize potency and reduce side effects, paving the way for safer therapeutic options.
  • Research Significance: The unique combination of functional groups within this compound presents opportunities for extensive research. It provides a platform for synthetic chemists to explore innovative methods to synthesize, modify, and evaluate the efficacy of similar compounds in the quest for new drugs.

In the realm of drug discovery, compounds like 2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid serve as a reminder of the intricate relationship between structure and function in chemistry. Their ongoing study is vital for advancing modern medicine.

Synonyms
NSC122870
CHEMBL154418
L-Aspartic acid, N-[4-[[(2,4-diamino-5-methyl-6-quinazolinyl)methyl]-
L-Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino] benzoyl]-,
2-[[4-[(2,4-diamino-5-methyl-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
Aspartic acid,4-diamino-5-methyl-6-quinazolinyl)methyl]amino] benzoyl]-, L-