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Nemorubicin

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Identification
Molecular formula
C33H36N2O8
CAS number
108852-90-0
IUPAC name
(4S,7S,7aR,12bS)-3-methyl-9-(2-morpholinoethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
State
State
Nemorubicin is typically found as a solid at room temperature. It is often stored as a crystalline powder and is relatively stable when kept under proper storage conditions, such as in a cool, dry place away from light.
Melting point (Celsius)
203.00
Melting point (Kelvin)
476.15
Boiling point (Celsius)
697.00
Boiling point (Kelvin)
970.15
General information
Molecular weight
627.66g/mol
Molar mass
627.7160g/mol
Density
1.3050g/cm3
Appearence
Nemorubicin typically appears as a pale yellow to off-white solid in pure form. Its appearance can vary somewhat depending on the level of hydration and purity of the sample. In commercial or laboratory settings, it may be provided as either a solid powder or as part of a liquid preparation.
Comment on solubility

Solubility Insights for (4S,7S,7aR,12bS)-3-methyl-9-(2-morpholinoethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

The solubility of (4S,7S,7aR,12bS)-3-methyl-9-(2-morpholinoethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol can be quite nuanced, largely due to its complex structure. Here are some key considerations regarding its solubility:

  • Polar vs. Non-Polar: The presence of the morpholinoethoxy group may impart some polar characteristics to the molecule, potentially enhancing its solubility in polar solvents.
  • Solvent Compatibility: It is expected to have moderate solubility in solvents such as ethanol and dimethyl sulfoxide (DMSO), which can stabilize the functional groups present.
  • pH Dependence: Given that it contains both basic (morpholine) and potentially acidic functional groups, its solubility may vary significantly with changes in pH.
  • Hydrogen Bonding: The ability to form hydrogen bonds might also influence solubility in aqueous solutions, making it somewhat soluble.

In practical terms, one could say, “Solubility is a dance between structure and environment.” This compound's intricate molecular architecture means that solubility ultimately hinges on both intrinsic structural features and the external factors of the solvent used. As with many complex organic molecules, experimenting with different solvents and conditions is essential to fully understand the solubility profile.

Interesting facts

Interesting Facts about (4S,7S,7aR,12bS)-3-methyl-9-(2-morpholinoethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

This compound is a fascinating member of the broad class of isoquinolines, which are known for their various biological activities and applications in medicinal chemistry. As a synthetic derivative, it exhibits unique structural properties that make it an interesting subject for research and exploration. Here are some remarkable points to consider:

  • Complex Structure: The compound boasts a complex stereochemistry with multiple chiral centers, specifically configured with the (4S,7S,7aR,12bS) notation. This intricacy highlights the challenges and precision involved in its synthesis.
  • Biological Relevance: Compounds in the isoquinoline family have been extensively studied for their therapeutic potentials, including anticancer, anti-inflammatory, and analgesic properties. The inclusion of a morpholino ethoxy group enhances its biological activity and solubility.
  • Research Potential: Given its diverse pharmacological potential, this compound may serve as a promising lead for drug development, particularly in targeting neurological disorders and other complex diseases.
  • Natural Origins: Isoquinoline derivatives are often found in various plant alkaloids, suggesting a rich background of traditional medicine that could provide insights into modern pharmacology.
  • Potential Mechanisms: The mechanisms by which such compounds exert their biological effects are an intriguing area of investigation, with researchers examining receptor interactions, enzyme inhibition, and signaling pathways.

In conclusion, the compound's multifaceted nature and potential applications in pharmacology make it a worthwhile subject for ongoing study. As a future chemist or researcher, exploring such compounds can lead to breakthroughs in understanding and treating complex medical conditions.