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Epelsiban

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Identification
Molecular formula
C31H41N5O6S
CAS number
698639-58-0
IUPAC name
4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-(isobutoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid
State
State

At room temperature, Epelsiban is typically found in a solid state.

Melting point (Celsius)
118.00
Melting point (Kelvin)
391.00
Boiling point (Celsius)
296.00
Boiling point (Kelvin)
569.00
General information
Molecular weight
610.74g/mol
Molar mass
610.7380g/mol
Density
1.4700g/cm3
Appearence

Epelsiban appears as a white to off-white powder.

Comment on solubility

Solubility of 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-(isobutoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid

The solubility of complex organic compounds such as 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-(isobutoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid can be influenced by several factors. Here are some key points to consider:

  • Polarity: The compound contains both polar functional groups (like amines and carboxylic acids) and hydrophobic elements (like the benzyl and indole groups). This suggests that it may have diverse solubility characteristics in different solvents.
  • Solvent Type: It's likely to be more soluble in polar solvents such as water or methanol due to its ability to form hydrogen bonds. However, it may also exhibit some solubility in organic solvents, albeit to a lesser extent.
  • pH Sensitivity: The carboxylic acid group can result in increased solubility at higher pH values, where it would deprotonate to form an anion, making it more soluble in aqueous solutions.
  • Temperature Effects: As with many compounds, solubility can increase with temperature, allowing for more extensive dissolution in some cases.

In summary, while the solubility of this compound in various solvents can be predicted based on its structural features, empirical testing is essential to determine the exact solubility characteristics. As with many complex molecules, the interplay of polarity, functional groups, and environmental conditions all contribute to how readily it will dissolve in a given medium.

Interesting facts

Interesting Facts about 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-(isobutoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid

This compound is a fascinating example of a complex organic molecule with significant potential in pharmaceutical applications. Here are some noteworthy details:

  • Drug Development: The intricate structure of this compound suggests it may be useful in drug development, particularly in targeting specific biological pathways.
  • Biologically Active Components: This compound features structural motifs commonly found in biologically active molecules, such as amino acids and indole rings, which are essential in many natural compounds.
  • Complexity: The lengthy name is indicative of its complex structure, which is often the case in compounds designed for therapeutic purposes. Complex molecules can interact with numerous biological systems, offering a broad spectrum of potential applications.
  • Structure-Activity Relationship (SAR): Compounds like this one can be studied for their structure-activity relationships, allowing chemists to understand how changes in the structure can influence biological activity.
  • Potential Research Areas: Given its unique configuration, researchers may explore its effects in areas such as oncology, neurology, or infectious disease, making it an exciting subject for further study.

As science continues to advance, the exploration of compounds like this one remains vital. The intricate connections between chemistry and biology hold the key to many of today’s medical breakthroughs, and this compound's unique structure makes it a significant candidate for future research endeavors.

Synonyms
15686-70-1
5,9,12,15-Tetrahydroxy-17-{hydroxy[(1-hydroxy-1-imino-3-phenylpropan-2-yl)imino]methyl}-11-[(1H-indol-3-yl)methyl]-2-methyl-14-[2-(methylsulfanyl)ethyl]-4-oxa-6,10,13,16-tetraazanonadeca-5,9,12,15-tetraen-19-oic acid
SCHEMBL1650018
BDBM82241
DTXSID80935548
NSC_444007
CAS_5534-95-2