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Deferasirox

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Identification
Molecular formula
C28H32N4O4
CAS number
201530-41-8
IUPAC name
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanehydroxamic acid
State
State

At room temperature, Deferasirox is generally found in a solid state. The powder is stable under normal conditions but should be kept dry to maintain its efficacy and integrity.

Melting point (Celsius)
230.00
Melting point (Kelvin)
503.15
Boiling point (Celsius)
619.10
Boiling point (Kelvin)
892.30
General information
Molecular weight
373.36g/mol
Molar mass
373.3640g/mol
Density
1.5087g/cm3
Appearence

Deferasirox typically appears as a white to light yellow powder. It is relatively dense and can appear slightly crystalline depending on the level of refinement and processing.

Comment on solubility

Solubility of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanehydroxamic acid

The solubility of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanehydroxamic acid, with the chemical formula C28H32N4O4, is an intriguing aspect of its chemical properties. Understanding the solubility behavior of this compound can provide insights into its potential applications and interactions in various environments. Here are some key points regarding its solubility:

  • Polar and Non-Polar Regions: The presence of both hydroxamic acid and aromatic structures suggests that this compound may exhibit both polar and non-polar characteristics, influencing its solubility in different solvents.
  • Solvent Specificity: It is likely that this compound dissolves better in organic solvents (such as DMSO or ethanol) than in polar solvents like water due to steric hindrance and the tendency of aromatic systems to stack.
  • Hydroxamic Acid Influence: The hydroxamic acid functional group can create hydrogen bonds, potentially enhancing solubility in polar solvents, but the overall hydrophobic nature of the compound may counteract this effect.
  • Temperature Dependence: Solubility is often dependent on temperature; an increase in temperature may enhance the solubility of this compound in various solvents.

In conclusion, while detailed experimental data on the solubility of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanehydroxamic acid may be limited, its complex structure suggests a nuanced solubility profile that could vary significantly with solvent choice and environmental conditions. Understanding these solubility properties is critical for its utilization in chemical and pharmaceutical applications.

Interesting facts

Interesting Facts about 4-(1,3-Dioxobenzo[de]isoquinolin-2-yl)butanehydroxamic Acid

4-(1,3-Dioxobenzo[de]isoquinolin-2-yl)butanehydroxamic acid is a fascinating compound that belongs to the class of hydroxamic acids, which are notable for their ability to chelate metal ions. Here are some intriguing points about this chemical:

  • Biological Significance: Many hydroxamic acids exhibit biologically relevant activities, including anti-cancer properties. Their potential as enzyme inhibitors makes them a subject of extensive research in medicinal chemistry.
  • Structural Diversity: The unique fusion of the isoquinoline and dioxobenzo structures provides this compound with a rich framework that can be modified to create various derivatives, potentially leading to enhanced therapeutic properties.
  • Metal Interaction: The hydroxamic acid functional group is known for its ability to interact with transition metals. This interaction is of great interest, especially in the field of biochemistry, as it mimics the way certain natural products can bind metal ions in biological systems.
  • Potential Applications: Due to its structural attributes, this compound could be employed in the development of new anti-tumor agents, particularly targeting specific pathways in cancer cells, thus highlighting the value of structure-activity relationship studies.
  • Synthetic Routes: The synthesis of such complex organic molecules often involves intricate multi-step reactions, requiring a deep understanding of organic reactions and mechanisms. This greatly appeals to aspiring chemists looking to enhance their synthetic skills.

In summary, the study of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanehydroxamic acid exemplifies the intersection of organic chemistry, medicinal chemistry, and biological activity, making it a treasure trove for research and discovery in the scientific community.

Synonyms
Nullscript
300816-11-9
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-hydroxybutanamide
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxybutanamide
HDInhib_000069
CBChromo1_000059
CBDivE_003232
SCHEMBL411511
SCHEMBL411512
CHEMBL5282405
CHEBI:125630
4-(1,3-Dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-N-hydroxybutanamide
STL581997
AKOS000273602
EG-0076
SMP2_000267
DB-218213
HY-118421
CS-0065905
AB00074685-01
SR-01000388355
SR-01000388355-1
BRD-K76097666-001-02-1
Q27216241
Z56880376
4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-hydroxybutanamide
4-{2,4-DIOXO-3-AZATRICYCLO[7.3.1.0?,(1)(3)]TRIDECA-1(13),5,7,9,11-PENTAEN-3-YL}-N-HYDROXYBUTANAMIDE
4-{2,4-dioxo-3-azatricyclo[7.3.1.0?,??]trideca-1(13),5,7,9,11-pentaen-3-yl}-N-hydroxybutanamide