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Pemetrexed

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Identification
Molecular formula
C20H21ClN6O6
CAS number
137281-23-3
IUPAC name
(2S)-2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
State
State

At room temperature, pemetrexed exists as a solid. It is commonly provided in a powder form which must be reconstituted before medical use.

Melting point (Celsius)
184.00
Melting point (Kelvin)
457.20
Boiling point (Celsius)
567.10
Boiling point (Kelvin)
840.30
General information
Molecular weight
599.49g/mol
Molar mass
599.4900g/mol
Density
1.7640g/cm3
Appearence

Pemetrexed is typically available in the form of a white to light yellow solid. It is often formulated as a powder for reconstitution in pharmaceutical applications, especially in chemotherapy drugs.

Comment on solubility

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

The solubility of the compound (2S)-2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid is influenced by several unique factors:

  • Polarity: Due to the presence of numerous polar functional groups such as carboxylic acids and amines, this compound is likely to display high solubility in polar solvents, particularly water.
  • Hydrogen Bonding: The ability to form strong hydrogen bonds with water molecules enhances its solubility.
  • Ionization: Under certain pH conditions, the carboxylic acid groups may become ionized, further increasing solubility in aqueous solutions. This property is especially important in biological systems where pH can vary.
  • Compatibility with Organic Solvents: While highly soluble in water, it may have limited solubility in non-polar organic solvents due to its overall structure.

In conclusion, you can expect that the compound will show enhanced solubility in polar environments, while struggling to dissolve in non-polar solvents. As noted, "The more polar the solvent, the more soluble the polar solute," making this compound particularly versatile in biochemical applications.

Interesting facts

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

(2S)-2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid is a fascinating compound that showcases the intricate relationship between chemical structure and biological activity. As a scientist, I find its design particularly intriguing because it reflects the subtleties involved in drug design and development.

Here are some notable aspects of this complex compound:

  • Structure-Activity Relationship: The presence of amino groups and a quinazoline ring in its structure hints at potential interactions with biological targets, making it an interesting candidate for medicinal chemistry.
  • Potential Therapeutic Applications: Compounds that incorporate quinazoline derivatives have been studied for their potential use in treating various diseases, including cancers, due to their ability to interfere with specific biochemical pathways.
  • Chirality: The (2S) designation indicates that this compound exhibits chirality, a feature that can significantly affect its pharmacological profile. Chirality is a major consideration in pharmaceutical development, as different enantiomers can have different effects in biological systems.
  • Functional Groups: The multiple functional groups present in this molecule allow for diverse interactions with biological macromolecules, enhancing its potential as a lead compound in drug development.

In the realm of pharmacology, it's crucial to understand compounds like this one as they represent a blend of art and science in the quest for effective therapies. As I delve deeper into the subject, I often recall the insightful words of a renowned chemist: "Every molecule tells a story; it's our job to learn how to read it."

This compound not only contributes to the scientific community's understanding of medicinal chemistry but also exemplifies the beauty of chemistry, where each atom plays a vital role in shaping the compound's overall properties. Through continued research, we may unlock its full potential and uncover new avenues for therapeutic advancements.

Synonyms
Chlorasquin
18921-73-8
4REQ59Y97R
DTXSID501043193
NSC-529861
SK29861
SK-29861
Aspartic acid, N-(p-(((2,4-diamino-5-chloro-6-quinazolinyl)methyl)amino)benzoyl)-, L-
L-Aspartic acid, N-(4-(((2,4-diamino-5-chloro-6-quinazolinyl)methyl)amino)benzoyl)-
N-(p-(((2,4-Diamino-5-chloro-6-quinazolinyl)methyl) amino)benzoyl)-L-aspartic acid dihydrate
L-Aspartic acid, N-[4-[[(2,4-diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-
Aspartic acid, N-[p-[[(2,4-diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-, L-
N-(4-(((2,4-Diamino-5-chloro-6-quinazolinyl)methyl)amino)benzoyl)-L-aspartic acid
N-[4-[[(2,4-Diamino-5-chloro-6-quinazolinyl)methyl]amino]benzoyl]-L-aspartic acid
DTXCID301525903
(2S)-2-[[4-[(2,4-diamino-5-chloroquinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
(4-(((2,4-diamino-5-chloroquinazolin-6-yl)methyl)amino)benzoyl)-L-aspartic acid
Ccnsc 529,861
N-(p-(((2,4-Diamino-5-chloro-6-quinazolinyl)methyl)amino)benzoyl)-L-aspartic acid
NSC 529861
BRN 0905558
SK 29861
CHEMBL475332
orb1703607
2-[[4-[(2,4-diamino-5-chloro-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid
CCNSC 529861
AKOS040745666
HY-121256