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Sceptreine

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Identification
Molecular formula
C19H21NO3
CAS number
58297-98-4
IUPAC name
(4S,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
State
State
Sceptreine is found in a solid state at room temperature, typically taking the form of a crystalline solid. It is neither a liquid nor a gas under standard conditions, making it easy to handle and measure in laboratory settings.
Melting point (Celsius)
220.00
Melting point (Kelvin)
493.15
Boiling point (Celsius)
360.00
Boiling point (Kelvin)
633.15
General information
Molecular weight
295.35g/mol
Molar mass
295.3450g/mol
Density
1.3400g/cm3
Appearence

Sceptreine is generally described as a white or off-white crystalline solid. The compound may appear as a powder or crystallized substance and is typically handled in solid form for research and analytical purposes.

Comment on solubility

Solubility of (4S,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol

The solubility of the compound (4S,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol can be influenced by various factors due to its complex structure. Here are some key points to consider:

  • Polarity: The presence of hydroxyl (–OH) groups often enhances solubility in polar solvents like water. This compound contains two hydroxyl groups, suggesting potential for increased solubility in polar environments.
  • Hydrophobic Regions: The octahydro structure and the overall configuration contribute to hydrophobic sections that may counteract solubility in aqueous solutions.
  • Solvent Compatibility: Based on its molecular structure, solubility may be improved in organic solvents such as ethanol or dimethyl sulfoxide (DMSO) compared to water.
  • Temperature Influence: Like many organic compounds, solubility might increase with temperature, warranting consideration in experimental settings.

In summary, while the compound possesses functionalities that may enhance solubility, its overall hydrophobic characteristics and complex structure suggest variable solubility across different solvents. Conducting solubility tests in various mediums would provide further insights into its properties and potential applications.

Interesting facts

Interesting Facts about (4S,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol

This compound represents a fascinating class of complex organic molecules that have garnered attention due to their unique structural features and potential biological activities. As a member of the isoquinoline family, it possesses a fused bicyclic system that contributes to its interesting chemical properties.

Chemical Structure and Significance

The intricate structure of this compound can be explored through its:

  • Chiral Centers: With several chiral centers, the compound can exist in multiple stereoisomeric forms, influencing its biological activity and interactions.
  • Fused Rings: The presence of fused rings enhances the rigidity of the molecule, often leading to increased binding affinity to biological targets.
  • Functional Groups: The hydroxyl groups located at specific positions are crucial for its solvation and reactivity, potentially providing avenues for various chemical transformations.

Biological Relevance

This compound has been of great interest in the field of medicinal chemistry, with potential applications that include:

  • Anticancer activity: Preliminary studies suggest that its structure may interact favorably with cancer cell pathways.
  • Neuroprotective properties: The compound's structural attributes might confer protection against neurodegenerative diseases.
  • Modulation of neurotransmitter systems: Its interaction with certain receptors could play a role in treating mood disorders.

Research and Development

The exploration of such compounds requires sophisticated techniques, including:

  • Advanced Synthesis: Chemists strive to synthesize the compound via innovative methods to elucidate its properties and improve yield.
  • Structural Analysis: Techniques such as NMR and X-ray crystallography are often employed to unambiguously determine its structure.
  • Biological Assays: Essential for evaluating the pharmacological potential of the compound in various biological systems.

In summary, (4S,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol serves as an intriguing subject of study not only for its complex structure but also for its promising applications in medicinal chemistry. The journey of understanding this compound is a testament to the richness of organic chemistry and its impact on human health.