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Alatrofloxacin

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Identification
Molecular formula
C17H22N6O5
CAS number
131416-60-9
IUPAC name
3-[[2-(2-amino-1-methyl-5,6-dihydro-4H-pyrimidin-4-yl)acetyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
State
State

At room temperature, Alatrofloxacin is typically in a solid state.

Melting point (Celsius)
201.00
Melting point (Kelvin)
474.00
Boiling point (Celsius)
328.00
Boiling point (Kelvin)
601.00
General information
Molecular weight
474.49g/mol
Molar mass
474.4800g/mol
Density
1.6000g/cm3
Appearence

Alatrofloxacin typically appears as a powder or crystalline solid and may vary slightly in color from white to pale yellow.

Comment on solubility

Solubility of 3-[[2-(2-amino-1-methyl-5,6-dihydro-4H-pyrimidin-4-yl)acetyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

The solubility of the compound 3-[[2-(2-amino-1-methyl-5,6-dihydro-4H-pyrimidin-4-yl)acetyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid plays a crucial role in its application and efficacy. Several factors influence its solubility behavior:

  • Polarity: This compound features multiple polar functional groups, which typically enhance solubility in polar solvents such as water. The presence of amino and carboxylic acid groups contributes to hydrogen bonding capabilities, further promoting solubility.
  • pH Dependence: The ionization of the carboxylic acid group under different pH conditions can dramatically change its solubility. At lower pH, the acid remains protonated and may be less soluble, whereas at higher pH, it can ionize, increasing solubility in aqueous solutions.
  • Solvent Interaction: The compound may also exhibit varying solubility in organic solvents based on their polarity. For instance, it may show good solubility in DMSO or methanol, which are capable of adequately interacting with the polar features of the molecule.
  • Temperature Effects: Like many compounds, increased temperature may enhance solubility, allowing for greater interaction between the compound and the solvent molecules.

In conclusion, understanding the solubility of this complex compound is essential for its practical applications in pharmaceuticals and biochemistry, as good solubility often correlates with better bioavailability. As always, precise conditions need to be assessed for optimal usage.

Interesting facts

Interesting Facts about 3-[[2-(2-amino-1-methyl-5,6-dihydro-4H-pyrimidin-4-yl)acetyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid

This compound is a fascinating example of a complex organic molecule that intertwines structural biology and medicinal chemistry. Its intricate design features multiple functional groups, which allows it to interact with biological systems in unique ways.

Key Features

  • Multiple Heterocycles: The presence of pyrimidine rings enhances the compound's ability to participate in various biological pathways.
  • Amino Acids Influence: With amino acid moieties incorporated, this compound may mimic biological substrates, potentially leading to interesting biochemical activity.
  • 2H-Pyran Framework: The dihydropyran structure contributes to its stability while serving as a platform for possible biological interactions.

Research into compounds of this type has led to exciting developments in the evolution of drug design. These compounds are often explored for their potential anti-cancer and anti-viral properties, making them significant in medicinal chemistry. Scientists continue to investigate how modifications to specific functional groups can improve efficacy and reduce side effects.

Research Implications

As a promising scaffold for therapeutics, this compound could pave the way for:

  • Targeted Drug Development: Its unique structure allows for targeted modification, which can enhance efficacy.
  • Biological Activity Exploration: Compounds like this one can be studied to discover mechanisms that may lead to new treatments.
  • Collaboration Across Disciplines: The study of such compounds often necessitates collaboration among chemists, biologists, and pharmacologists, illustrating the interdisciplinary nature of modern scientific research.

In summary, the study of 3-[[2-(2-amino-1-methyl-5,6-dihydro-4H-pyrimidin-4-yl)acetyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid not only highlights the complexity of organic molecules but also serves as a cornerstone for future innovations in therapeutic applications.

Synonyms
CYTOMYCIN
Saitomycin
2005-98-3
3-[[2-(2-amino-1-methyl-5,6-dihydro-4H-pyrimidin-4-yl)acetyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
C01567
AC1L27EN
LS-59121
AKOS040751369
1-(4-Amino-2-oxo-1(2H)-pyrimidinyl)-4-[[[(4S)-1,4,5,6-tetrahydro-2-amino-1-methylpyrimidin-4-yl]acetyl]amino]-1,2,3,4-tetradeoxy-beta-D-erythro-2-hexenopyranuronic acid
3-[[2-(2-amino-1-methyl-5,6-dihydro-4H-pyrimidin-4-yl)acetyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid