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Zastapine

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Identification
Molecular formula
C16H18BrN3OS
CAS number
25747-96-4
IUPAC name
5-bromo-1-[1-(dimethylamino)-2-methylsulfanyl-ethyl]-2H-pyrido[3,4-b]indol-6-ol
State
State
At room temperature, Zastapine is in a solid state, typically found in a powder form.
Melting point (Celsius)
183.70
Melting point (Kelvin)
456.90
Boiling point (Celsius)
505.30
Boiling point (Kelvin)
778.50
General information
Molecular weight
384.31g/mol
Molar mass
384.2800g/mol
Density
1.5200g/cm3
Appearence
Zastapine typically appears as a white to off-white crystalline powder. The material is free-flowing and has a somewhat granular texture.
Comment on solubility

Solubility of 5-bromo-1-[1-(dimethylamino)-2-methylsulfanyl-ethyl]-2H-pyrido[3,4-b]indol-6-ol

The solubility of the compound 5-bromo-1-[1-(dimethylamino)-2-methylsulfanyl-ethyl]-2H-pyrido[3,4-b]indol-6-ol (C16H18BrN3OS) can be influenced by several factors:

  • Polarity: This compound has a complex structure with functional groups that can affect its polarity. The presence of both bromine and nitrogen may introduce polar characteristics, potentially enhancing solubility in polar solvents.
  • Hydrogen bonding: The hydroxyl (-OH) group in the structure can engage in hydrogen bonding with solvents, particularly water, which may suggest that it has some degree of solubility in aqueous environments.
  • Solvent interactions: Solubility might also vary significantly in organic solvents. It is crucial to consider solvents such as ethanol or dimethyl sulfoxide (DMSO) where larger, more complex molecules often dissolve better.
  • Concentration dependence: The solubility may be concentration-dependent; at lower concentrations in a suitable solvent, the compound might dissolve more readily compared to higher concentrations, where saturation effects could occur.

Overall, while the solubility of this compound is not extensively documented, its hybrid molecular characteristics suggest it may have varying solubility profiles depending on the solvent used. Understanding these interactions can be crucial for practical applications and formulations.

Interesting facts

Interesting Facts about 5-bromo-1-[1-(dimethylamino)-2-methylsulfanyl-ethyl]-2H-pyrido[3,4-b]indol-6-ol

The compound 5-bromo-1-[1-(dimethylamino)-2-methylsulfanyl-ethyl]-2H-pyrido[3,4-b]indol-6-ol is a fascinating example of a complex molecular structure that showcases intriguing properties and potential applications in pharmaceutical chemistry. Here are some notable facts:

  • Bioactive Potential: This compound belongs to a class of heterocyclic compounds known for their biological activity. Research indicates that pyridoindoles possess properties that may combat various diseases, including cancer.
  • Bromine's Role: The presence of the bromine atom introduces unique reactivity, making it a valuable intermediate in synthetic chemistry. It also enhances the compound’s lipophilicity, which can affect its interaction with biological membranes.
  • Dimethylamino Group: This functional group (—N(CH3)2) contributes significantly to the compound's pharmacological profile, often enhancing solubility and bioavailability.
  • Versatile Applications: The varied functional groups present in the molecule offer numerous avenues for modification and optimization, making it a subject of interest in drug design and development.
  • Sulfanyl Group Influence: The methylsulfanyl (—S—CH3) moiety can stabilize radical species and influence the compound's antioxidant properties, which is a burgeoning area of research.

As a future chemist or researcher, the study of such compounds not only broadens your understanding of molecular interactions but also opens doors to advancements in therapeutic interventions. The combination of indole and pyridine structures often leads to unexpectedly potent compounds in drug discovery.

In sum, 5-bromo-1-[1-(dimethylamino)-2-methylsulfanyl-ethyl]-2H-pyrido[3,4-b]indol-6-ol is more than just a chemical entity; it represents a nexus of chemical investigation, therapeutic promise, and the artistry of molecular design.