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Pemetrexed

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Identification
Molecular formula
C20H21N5O6
CAS number
137281-23-3
IUPAC name
2-[[2-[[4-amino-1-[(1-methyl-2-oxo-ethyl)carbamoyl]-4-oxo-butyl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxo-ethyl]carbamoylamino]-4-methyl-pentanoic acid
State
State

At room temperature, pemetrexed is in a solid state, typically provided in powder form for reconstitution prior to administration in a clinical setting.

Melting point (Celsius)
226.00
Melting point (Kelvin)
499.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
427.41g/mol
Molar mass
427.4050g/mol
Density
1.5000g/cm3
Appearence

Pemetrexed typically appears as a white to almost white powder. It is odorless and is often used in its disodium salt form for pharmaceutical preparations.

Comment on solubility

Solubility of 2-[[2-[[4-amino-1-[(1-methyl-2-oxo-ethyl)carbamoyl]-4-oxo-butyl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxo-ethyl]carbamoylamino]-4-methyl-pentanoic acid

The solubility of 2-[[2-[[4-amino-1-[(1-methyl-2-oxo-ethyl)carbamoyl]-4-oxo-butyl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxo-ethyl]carbamoylamino]-4-methyl-pentanoic acid (C20H21N5O6) exhibits characteristics influenced by its complex molecular structure. Here are some key points regarding its solubility:

  • Polar Functional Groups: The presence of multiple polar functional groups, such as amines and carboxylic acids, typically enhances solubility in water.
  • Molecular Weight: With a relatively high molecular weight, the solubility may be decreased compared to smaller compounds.
  • Solvent Interactions: This compound may show better solubility in solvents such as dimethyl sulfoxide (DMSO) or ethanol, where the polar interactions can stabilize it.
  • pH Dependence: The solubility can be affected by the pH of the solution, particularly due to the carboxylic acid group, which may ionize under basic conditions.

As a result, the solubility of this compound is not straightforward and must be considered in the context of the solvent and environmental conditions. In optimal conditions, the compound may be soluble to some extent, although predicting exact solubility values requires empirical testing.

Interesting facts

Interesting Facts about 2-[[2-[[4-amino-1-[(1-methyl-2-oxo-ethyl)carbamoyl]-4-oxo-butyl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxo-ethyl]carbamoylamino]-4-methyl-pentanoic acid

This compound, a complex molecule with multiple functional groups, presents a fascinating case study in the realm of medicinal chemistry and drug design. Here are some noteworthy aspects:

  • Structural Complexity: The chemical structure of this compound is highly intricate, featuring multiple amino groups, a tetrahydropyrimidine ring, and various carbonyl functionalities, which may enhance its interaction with biological targets.
  • Potential Therapeutic Uses: Given its structural components, this compound could serve as a lead compound in the development of new pharmaceuticals, possibly targeting enzymatic processes or receptor interactions in pathological conditions.
  • Analytical Interest: The multiple functional groups allow for diverse analytical techniques to be employed for its characterization. Methods such as NMR, mass spectrometry, and HPLC are crucial in verifying the purity and structural integrity of the compound.
  • Research Implications: Researchers are intrigued by such compounds because they may provide insights into the mechanisms of drug action. Studying these compounds could lead to breakthroughs in understanding complex diseases and developing more effective therapies.
  • In Silico Studies: Computational chemistry can be utilized to model the interactions of this compound with biological macromolecules. Such studies could establish a foundation for optimizing its efficacy and minimizing side effects in potential therapeutic applications.

In essence, 2-[[2-[[4-amino-1-[(1-methyl-2-oxo-ethyl)carbamoyl]-4-oxo-butyl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxo-ethyl]carbamoylamino]-4-methyl-pentanoic acid stands out due to its intricate design and potential roles in advancing pharmacological science. Its examination exemplifies the balance of creativity and scientific rigor in the journey of drug discovery.

Synonyms
CHEBI:217216
IEL-4064-V
SMP2_000210
(2S)-2-[(4S)-2-Amino-1,4,5,6-tetrahydro4-pyrimidinyl]-N-[[[(1S)-1- carboxy-3-methylbutyl]amino]carbonyl]glycyl-N1-[(1S)-1-methyl-2-ox