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Thiotepa

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Identification
Molecular formula
C9H18N3O2
CAS number
52-24-4
IUPAC name
3-(aziridin-1-yl)-N-[6-[3-(aziridin-1-yl)propanoylamino]hexyl]propanamide
State
State

At room temperature, thiotepa exists in a solid state. It is usually present as a crystalline powder.

Melting point (Celsius)
52.00
Melting point (Kelvin)
325.15
Boiling point (Celsius)
240.00
Boiling point (Kelvin)
513.15
General information
Molecular weight
189.24g/mol
Molar mass
189.2440g/mol
Density
1.1900g/cm3
Appearence

Thiotepa appears as a crystalline solid. It is typically a white to off-white powder.

Comment on solubility

Solubility of 3-(aziridin-1-yl)-N-[6-[3-(aziridin-1-yl)propanoylamino]hexyl]propanamide

The solubility of 3-(aziridin-1-yl)-N-[6-[3-(aziridin-1-yl)propanoylamino]hexyl]propanamide can be influenced by various factors due to its complex chemical structure. Understanding its solubility characteristics is essential for applications in biochemical and pharmaceutical contexts. Here are some key considerations:

  • Polarity: The presence of multiple nitrogen atoms and functional groups may enhance the polarity of this compound, potentially increasing its solubility in polar solvents like water.
  • Solvent Interactions: Solubility can vary dramatically based on the choice of solvent. For example:
    • In water, the compound may exhibit moderate solubility due to hydrogen bonding.
    • In organic solvents such as dimethyl sulfoxide (DMSO) or methanol, solubility may be higher due to specific interactions with the solvent molecules.
  • Temperature Effects: An increase in temperature typically enhances solubility for many compounds, making it crucial to evaluate solubility across a range of temperatures.
  • pH Influence: The ionization of the amide groups at different pH levels can affect solubility; thus, exploring solubility in varying pH conditions can yield significant insights.

In conclusion, the solubility behavior of this compound is multifaceted and context-dependent. As such, experimental data are essential to precisely determine its solubility in practical applications.

Interesting facts

Interesting Facts about 3-(aziridin-1-yl)-N-[6-[3-(aziridin-1-yl)propanoylamino]hexyl]propanamide

The compound 3-(aziridin-1-yl)-N-[6-[3-(aziridin-1-yl)propanoylamino]hexyl]propanamide is a fascinating example of a chemical that serves critical roles in medicinal chemistry and drug development. Here are several noteworthy aspects:

  • Structural Complexity: This compound features an intricate structure that includes an aziridine ring, which is a three-membered cyclic amine with unique reactivity patterns, making it a valuable building block in organic synthesis.
  • Potential Applications: Compounds like this one have potential applications in targeting specific cancer cells, as the presence of aziridine can aid in the design of prodrugs or bioactive molecules that selectively interact with biological pathways.
  • Versatile Synthesis: The synthesis of such compounds typically involves multiple steps, showcasing the versatility and creativity of organic chemists in constructing complex molecules from simpler precursors.
  • Biological Relevance: The incorporation of functional groups, such as amides, enhances the compound's ability to form hydrogen bonds, which can improve solubility and biological activity.
  • Research Insights: Studies involving such aziridine-containing compounds often reveal insightful data about their mechanisms of action, interactions with enzymes, and their potential as therapeutic agents.

In summary, 3-(aziridin-1-yl)-N-[6-[3-(aziridin-1-yl)propanoylamino]hexyl]propanamide serves as an important research compound, embodying the intersection of chemistry and pharmacology. As scientists continue to explore its properties, it may illuminate new pathways for drug discovery and development.

Synonyms
NSC 160168
BRN 1323841
740-88-5
DTXSID10224790
5-20-01-00055 (Beilstein Handbook Reference)
DTXCID40147281
NSC160168
3-(aziridin-1-yl)-N-[6-[3-(aziridin-1-yl)propanoylamino]hexyl]propanamide
NSC-160168