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Ixazomib

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Identification
Molecular formula
C14H14BClN2O4
CAS number
1072833-77-2
IUPAC name
[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]methylboronic acid
State
State

At room temperature, Ixazomib is typically in a solid state, often provided as a lyophilized powder for reconstitution for clinical use. Due to its pharmacological role, it is handled and processed in controlled environments to maintain efficacy and stability.

Melting point (Celsius)
224.30
Melting point (Kelvin)
497.45
Boiling point (Celsius)
289.30
Boiling point (Kelvin)
562.45
General information
Molecular weight
336.53g/mol
Molar mass
336.6800g/mol
Density
1.4450g/cm3
Appearence

Ixazomib, in its unformulated state, is a white to off-white solid powder. Its detailed crystalline structure contributes to its pharmacological properties. When formulated for use, especially in its encapsulated form, it can appear as a translucent capsule suitable for oral administration.

Comment on solubility

Solubility of [3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino)methylboronic acid

The compound [3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino)methylboronic acid, with the chemical formula C14H14BClN2O4, exhibits some intriguing characteristics regarding its solubility. Solubility is a critical property that influences the behavior and application of a chemical in various environments.

Key Points on Solubility:

  • Polar and Non-Polar Nature: The presence of the boronic acid functional group suggests that this compound can interact well with polar solvents, especially water.
  • Hydrophilicity: The hydroxyl (-OH) group in the boronic acid moiety contributes to the compound's ability to dissolve in aqueous solutions.
  • Influence of Substituents: The 2-chlorophenyl and isoxazole components may impact solubility by altering intermolecular interactions; chlorine can enhance lipophilicity.
  • Solvent Choice: This compound may show varying solubility in organic solvents such as ethanol or acetone, where the extent will depend on the balance between hydrophobic and hydrophilic character.

As a general observation, boronic acids can display variable solubility behavior influenced by factors such as pH and temperature. Thus, it is often stated that “solubility is not merely a property but a relationship between a compound and its environment.” Attention to solvent interactions and conditions is crucial for optimizing applications involving this compound.

Interesting facts

Interesting Facts about [3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino)methylboronic Acid

[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino)methylboronic acid is a fascinating compound due to its unique structural and functional properties. Here are some intriguing points to consider:

  • Versatile Applications: This compound is part of the boronic acid family, known for their applications in pharmaceutical chemistry. Boronic acids are pivotal in the development of various therapeutic agents, particularly in cancer treatment and diabetes management.
  • Specialized Structure: The presence of an isoxazole ring in its structure adds a layer of complexity. Isoxazoles are heterocycles that often act as precursors for important biologically active compounds, enhancing the compound's potential for biological activity.
  • Chlorophenyl Substituent: The 2-chlorophenyl group adds interesting electronic characteristics, which can influence the compound's reactivity and interaction with biological targets—leading to potentially selective therapeutic actions.
  • Research Significance: Ongoing studies explore how compounds like this one can be synthesized to create new materials and catalysts, particularly in organic synthesis and medicinal chemistry.
  • Inhibition Mechanism: Boronic acids are known to form reversible complexes with diols, making this compound of significant interest in the design of enzyme inhibitors, especially those targeting proteases and other biological pathways.

This compound not only showcases the delightful interplay of organic synthesis and medicinal application but also inspires chemists to explore innovative strategies for constructing complex therapeutic entities. As noted by chemists, “the properties of a compound can often tell you more than its structure alone.” This statement is particularly true when discussing compounds like [3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino)methylboronic acid, where its intricate design forebodes a wealth of potential in both discovery and application.

Synonyms
CHEMBL324688
N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID
CLOXACILLIN DERIVATIVE
Acylglycineboronic acid, 9
BDBM50115620
PD194287
Q27451578
[({[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}amino)methyl]boronic acid
3-(2-Chloro-phenyl)-5-methyl-2,3-dihydro-isoxazole-4-carboxylic acid dihydroxyboranylmethyl-amide