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N-Demethyl Sunitinib Mesylate

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Identification
Molecular formula
C28H28N6O3·CH4O3S
CAS number
202845-68-5
IUPAC name
(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
State
State

At room temperature, N-Demethyl Sunitinib Mesylate exists in a solid state. It is stable under normal conditions and should be stored in a cool, dry place.

Melting point (Celsius)
165.00
Melting point (Kelvin)
438.15
Boiling point (Celsius)
503.15
Boiling point (Kelvin)
776.30
General information
Molecular weight
479.56g/mol
Molar mass
479.5630g/mol
Density
1.4110g/cm3
Appearence

This compound typically appears as a light yellow solid. The exact color can range from off-white to pale yellow depending on the sample purity and conditions of storage.

Comment on solubility

Solubility of (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide; methanesulfonic acid

The solubility of this complex compound can be discussed through various factors that influence its behavior in different solvents. Generally, the solubility of such compounds can vary significantly based on their structural characteristics and environmental conditions.

General Solubility Information

  • Polarity: The presence of functional groups such as the amide and hydroxyl groups tends to increase polarity, enhancing solubility in polar solvents like water.
  • Hydrogen Bonding: The ability to form hydrogen bonds, especially with methanesulfonic acid, can greatly aid in solubility, often resulting in a higher solubility compared to less polar solvents.
  • Temperature Effects: Increased temperatures can improve solubility for many compounds, so it’s essential to consider how temperature might impact this specific structure.

Insights and Considerations

In conclusion, while the solubility of this compound may initially appear limited due to its complex and bulky structure, the interactions with solvents, particularly those capable of hydrogen bonding, will play a crucial role in determining its overall solubility. As with many compounds, solubility can be a dynamic and multifaceted property influenced by external factors.

Interesting facts

Interesting Facts about (6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-isopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide; methanesulfonic acid

This complex compound represents a fascinating intersection of synthetic chemistry and potential therapeutic applications. It belongs to a class of molecules noted for their diverse biological activities, particularly in the realm of pharmacology. Here are some engaging aspects to consider:

  • Multifunctionality: This compound features multiple functional groups that may contribute to its biological activity, including the indole structure, which is often associated with an array of physiological effects.
  • Chirality: The specific stereochemistry of the molecule, as denoted by the stereochemical descriptors (6aR,9R) and (1S,2S,4R,7S), indicates that the compound has several chiral centers. This can lead to different biological profiles depending on the configuration.
  • Potential Therapeutic Roles: Compounds containing both indole and quinoline structures have been researched for their abilities to act as anticancer, antimicrobial, and anti-inflammatory agents.
  • Complexity of Synthesis: The synthesis of such intricate compounds often involves multiple synthetic steps, showcasing the remarkable skills and creativity of synthetic chemists. The presence of dioxo and diazatricyclo structures also adds to the synthetic challenge.
  • Solvent Action: The combination with methanesulfonic acid suggests the compound may have specific solubilizing properties that enhance its solubility, potentially improving its pharmacokinetic profile during drug formulation.

As research progresses, compounds like this hold the potential for new drug development that could one day lead to significant advancements in treating various diseases. It’s a testament to the innovative nature of modern chemistry and a reminder of the intricate symbiosis between structure and function in biological systems.


Synonyms
SCHEMBL20136277
NS00086281