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Mirabegron

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Identification
Molecular formula
C21H24N4O3S
CAS number
223673-61-8
IUPAC name
N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide
State
State

Mirabegron is typically found in a solid state at room temperature, appearing as a crystalline powder. Physically, it is stable under standard conditions and should be stored in a controlled environment to preserve its chemical properties.

Melting point (Celsius)
105.00
Melting point (Kelvin)
378.20
Boiling point (Celsius)
462.40
Boiling point (Kelvin)
735.50
General information
Molecular weight
396.53g/mol
Molar mass
396.5330g/mol
Density
1.2830g/cm3
Appearence

Mirabegron appears as a white to yellowish- or brownish-white crystalline powder. It is hygroscopic in nature and should be handled in a low-humidity environment to maintain its stability and integrity.

Comment on solubility

Solubility of N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide

The solubility of a compound can often provide insight into its behavior in various environments, especially for biologically active compounds like N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide. With a complex structure as seen in the chemical formula C21H24N4O3S, the solubility characteristics can be influenced by several factors.

Key Factors Influencing Solubility:

  • Polarity: This compound contains both hydrophilic (methanesulfonamide) and lipophilic (alkyl and aromatic) parts, suggesting a moderate level of solubility in both polar and non-polar solvents.
  • Salt Formation: The presence of the pyridin-ium moiety implies the possibility of forming salts which can enhance water solubility.
  • Functional Groups: The sulfonamide group is typically associated with a high degree of solubility in water, which can aid in increasing overall solubility.
  • Temperature and pH: Solubility can be affected by temperature and pH of the solvent, potentially leading to increased solubility under certain conditions.

As a result of these structural nuances and the intermolecular interactions at play, one might observe that N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide exhibits a variable solubility profile.

In conclusion, predictions regarding solubility should be approached with caution; empirical testing may be necessary to ascertain precise solubility metrics in specific solvents.

Interesting facts

Interesting Facts about N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide

N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide, a compound of significant interest in medicinal chemistry, exhibits a unique structure with multiple functional groups that contribute to its biological activities. Here are some compelling insights:

  • Complex Structure: This compound includes a pyridine moiety and a piperidine ring, which are known for their roles in drug design due to their ability to mimic natural products and their unique electronic properties.
  • Potential Therapeutic Applications: The sulfonamide group is notable for its use in various pharmaceuticals, particularly in antibacterial agents. This compound's design suggests a potential role in targeting specific biological pathways.
  • Ionizable Features: The presence of a pyridinium ion hints at its ability to engage in various ionic interactions, which can be pivotal in cellular adhesion and receptor binding.
  • Research and Development: Ongoing research into compounds with similar structural features continues to uncover new activities, from anti-tumor to anti-microbial effects, highlighting the importance of structure-activity relationships in drug discovery.
  • Drug-Like Properties: With a careful balance of hydrophobic and hydrophilic characteristics, this compound is designed to improve bioavailability, making it a candidate for further pharmacological studies.

In summary, N-[4-[1-[2-(6-methylpyridin-1-ium-2-yl)ethyl]piperidin-1-ium-4-carbonyl]phenyl]methanesulfonamide stands out as a fascinating compound deserving of attention in the realms of synthetic chemistry and pharmaceutical research. As advancements in Synthesis and Analytical techniques increase, the exploration of such compounds may lead to new therapeutic breakthroughs.

Synonyms
HMS1361B15