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Saxagliptin

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Identification
Molecular formula
C18H25N3O2
CAS number
361442-04-8
IUPAC name
4-pyridylmethyl N-[1-[[1-[2-(benzyloxycarbonylamino)-4-methyl-pentyl]-4-oxo-pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]carbamate
State
State

At room temperature, Saxagliptin is in a solid state.

Melting point (Celsius)
222.00
Melting point (Kelvin)
495.15
Boiling point (Celsius)
315.50
Boiling point (Kelvin)
588.70
General information
Molecular weight
315.20g/mol
Molar mass
315.1960g/mol
Density
1.2000g/cm3
Appearence

Saxagliptin is typically a white to off-white crystalline powder.

Comment on solubility

Solubility of 4-pyridylmethyl N-[1-[[1-[2-(benzyloxycarbonylamino)-4-methyl-pentyl]-4-oxo-pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]carbamate

The solubility of the compound 4-pyridylmethyl N-[1-[[1-[2-(benzyloxycarbonylamino)-4-methyl-pentyl]-4-oxo-pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]carbamate (C18H25N3O2) is influenced by several factors that are typical for organic compounds of this nature.

Factors Affecting Solubility

Some key factors include:

  • Polarity: Due to the presence of nitrogen and oxygen functional groups, the overall polarity of this compound may enhance its solubility in polar solvents, particularly when compared to non-polar organic solvents.
  • Hydrogen Bonding: The ability of the compound to form hydrogen bonds with solvents can significantly affect its solubility. Its structure suggests potential for hydrogen bonding which may facilitate solubility in aqueous media.
  • Molecular Weight: With a molecular weight of 305.41 g/mol, this compound falls within a range where solubility can vary considerably based on the solvent's nature.

General Observations

In practical terms, one can anticipate:

  • If tested in εthanol or dimethyl sulfoxide (DMSO), the compound might demonstrate good solubility due to the favorable interactions.
  • In water, solubility could be limited but possibly enhanced with the addition of co-solvents or at elevated temperatures.
  • Solubility may vary significantly with changes in pH, particularly due to the presence of basic amine groups.

In conclusion, while the exact solubility characteristics can depend on specific experimental conditions, the chemical structure suggests that this compound could show reasonable solubility in a range of both polar and non-polar solvents. "Solubility is not just a property; it's a pivotal aspect that influences the feasibility of a chemical's application across various domains."

Interesting facts

Interesting Facts about 4-pyridylmethyl N-[1-[[1-[2-(benzyloxycarbonylamino)-4-methyl-pentyl]-4-oxo-pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]carbamate

4-pyridylmethyl N-[1-[[1-[2-(benzyloxycarbonylamino)-4-methyl-pentyl]-4-oxo-pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]carbamate is a fascinating compound known for its complex structure and potential applications in medicinal chemistry.

Key Highlights:

  • Complex Architecture: This compound showcases a multi-functional structure that includes a pyridine ring, several amine groups, and carbamate functionalities. Its intricate design allows for diverse interactions with biological targets.
  • Potential Therapeutic Use: Compounds like this are often explored for their potential in treating various diseases due to their ability to modulate biological pathways effectively. Researchers are particularly interested in its implications in drug design.
  • Versatility: The presence of a benzyloxycarbonylaminogroup in its structure suggests its utility as a scaffold for synthesizing analogs, leading to a library of compounds that may exhibit improved pharmacological properties.
  • Synergistic Effects: The multi-substituted nature of this compound can lead to synergistic effects when interacting with different receptors or enzymes, providing a rich area for further investigations.

Research Opportunities:

This compound provides numerous avenues for **investigation**, including:

  • Evaluating its efficacy in inhibiting specific enzymes that are relevant in metabolic pathways.
  • Studying its pharmacokinetics to understand how it behaves in biological systems.
  • Exploring structural modifications to enhance its activity and reduce potential side effects.

In conclusion, 4-pyridylmethyl N-[1-[[1-[2-(benzyloxycarbonylamino)-4-methyl-pentyl]-4-oxo-pyrrolidin-3-yl]carbamoyl]-3-methyl-butyl]carbamate represents a class of compounds that amalgamate complexity with therapeutic potential, making it an exciting topic for chemists and pharmacologists alike.

Synonyms
CHEMBL2316587
PD194280