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Naldemedine

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Identification
Molecular formula
C32H39NO4
CAS number
914249-99-5
IUPAC name
(2S,6R,14R,15R,19R)-5-(cyclopropylmethyl)-19-(1-hydroxy-1-methyl-ethyl)-11-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol
State
State

At room temperature, Naldemedine is typically in a solid state.

Melting point (Celsius)
221.50
Melting point (Kelvin)
494.60
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
515.62g/mol
Molar mass
515.6240g/mol
Density
1.1600g/cm3
Appearence

Naldemedine is typically a white to pale yellow crystalline solid. This indicates a well-ordered, repeating arrangement of molecules in the solid state, which is typical for crystalline substances.

Comment on solubility

Solubility of (2S,6R,14R,15R,19R)-5-(cyclopropylmethyl)-19-(1-hydroxy-1-methyl-ethyl)-11-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol

The solubility of this complex compound is influenced by its intricate molecular structure, characterized by multiple functional groups and a unique bicyclic framework. Understanding its solubility is vital for predicting its behavior in biological and chemical systems. Here are some key points regarding its solubility:

  • Polarity: The presence of functional groups like the hydroxyl (-OH) and methoxy (-OCH3) contributes to its polar nature, potentially enhancing its solubility in polar solvents such as water and alcohols.
  • Hydrophobic Interactions: The cyclopropylmethyl group may induce hydrophobic characteristics, making the compound less soluble in extremely polar environments, but potentially more soluble in organic solvents.
  • Concentration Effects: At higher concentrations in solvent mediums, the solubility might vary significantly due to aggregation effects.
  • pH Sensitivity: The solubility may also be affected by the pH of the environment, particularly due to the presence of acidic or basic functional groups.

In conclusion, the solubility of (2S,6R,14R,15R,19R)-5-(cyclopropylmethyl)-19-(1-hydroxy-1-methyl-ethyl)-11-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol showcases a balance between polar and nonpolar interactions influenced by its diverse structural components. Further empirical studies are essential for precise solubility data in varied solvent systems.

Interesting facts

Interesting Facts About (2S,6R,14R,15R,19R)-5-(cyclopropylmethyl)-19-(1-hydroxy-1-methyl-ethyl)-11-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-15-ol

This fascinating compound is a member of a complex family of organic molecules that exhibit a diverse range of biological activities. Here are some engaging insights about it:

  • Structural Complexity: The intricate structure features a hexacyclic framework, highlighting the compound's potential in medicinal chemistry. Such compounds are often synthesized to explore their effects on various biological pathways.

  • Chirality and Stereochemistry: With multiple stereocenters, this compound showcases chirality's importance in pharmacology. Different stereoisomers can demonstrate vastly different biological activities, making stereochemical analysis crucial in drug development.

  • Bioactivity: While the specific bioactivity of this compound may not be fully established, many derivatives with similar structures are known for anti-inflammatory, antiviral, or anticancer properties. This prompts further investigation into its potential therapeutic applications.

  • Synthetic Challenges: The synthesis of compounds with such complex structures can involve multiple steps, usually requiring advanced techniques in organic synthesis. Chemists often face challenges related to yield and selectivity during the synthesis process.

  • Applications in Research: Beyond medicinal chemistry, due to its unique structure, researchers might study this compound for its potential roles in materials science or catalysis, expanding its utility beyond traditional pharmaceuticals.

In summary, this compound exemplifies the intricate interplay between structure and function in organic chemistry, presenting both challenges and exciting possibilities for research and real-world applications.