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Lurasidone

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Identification
Molecular formula
C28H36N4S
CAS number
367514-87-2
IUPAC name
5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile
State
State

At room temperature, lurasidone is in a solid state. Its crystalline structure makes it stable under standard conditions of temperature and pressure.

Melting point (Celsius)
242.00
Melting point (Kelvin)
515.00
Boiling point (Celsius)
539.90
Boiling point (Kelvin)
813.00
General information
Molecular weight
492.66g/mol
Molar mass
492.6550g/mol
Density
1.3804g/cm3
Appearence

Lurasidone appears as a white to off-white crystalline powder. Being a crystalline solid, it has a distinct, although not particularly vivid, sparkle under direct light. The powder is uniform in texture and is devoid of any distinct odor.

Comment on solubility

Solubility of 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile

The solubility of 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile is influenced by various factors that pertain to its structural characteristics. Understanding these factors can help in predicting how this compound behaves in different solvent environments.

Key Factors Affecting Solubility:

  • Polarity: The presence of polar functional groups can enhance solubility in polar solvents, while non-polar groups can favor solubility in non-polar solvents.
  • Hydrogen Bonding: The ability of the compound to participate in hydrogen bonding can significantly increase its solubility in aqueous solutions.
  • Molecular Size: Larger or bulkier molecules may experience reduced solubility due to steric hindrance.

In terms of its solubility in common solvents, this compound may exhibit the following:

  • Highly soluble in organic solvents such as DMSO and DMF due to favorable interactions.
  • Moderate solubility in alcohols and ethers, which can interact through both polar and non-polar components.
  • Limited solubility in water, which poses a challenge for formulations requiring aqueous environments.

As stated in solubility theory, "like dissolves like," meaning that the solubility of this compound can vary significantly based on the solvent's polarity. Thus, choosing the right solvent based on this principle is crucial for applications involving this compound.

Interesting facts

Interesting Facts about 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile

This intriguing compound, with a complex structure and multifaceted properties, opens up avenues for exploration in various fields of chemistry and medicine. Here are some interesting aspects:

  • Biological Significance: This compound has garnered attention in pharmacology due to its potential as a novel therapeutic agent. Studies suggest that it may possess activity against certain mental health disorders, acting on serotonin and dopamine receptors.
  • Structural Insights: The molecule features a unique fused ring system that contributes to its biological activity. The presence of both benzothiepine and piperazine moieties enables it to interact with biological systems in diverse ways, making it a subject of interest for medicinal chemists.
  • Synthesis Challenges: The synthesis of this compound can be quite challenging due to its intricate structure. Chemists often have to employ advanced techniques like multistep synthesis and careful reaction condition management to achieve optimal yields.
  • Potential Applications: Beyond mood disorders, the compound could lend itself to further research in areas like oncology and neuropharmacology, owing to its unique chemical framework that might influence cellular pathways.
  • Pharmacokinetics: Understanding the pharmacokinetic properties of this compound is crucial. Its lipophilicity and ability to cross the blood-brain barrier are important factors when evaluating its efficacy and safety profile in medicinal applications.

The potential benefits of 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile make it a fascinating subject for research. As with any chemical compound of this complexity, ongoing studies are critical to unlocking its full therapeutic potential.

Synonyms
CHEMBL1259112
SCHEMBL30810178
BDBM50328496
AKOS005065389
11-(4-methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepine-2-carbonitrile