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Notoginsenoside R1

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Identification
Molecular formula
C47H80O18
CAS number
88110-02-9
IUPAC name
4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[2-[3-(tert-butoxycarbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid
State
State

Generally observed as a solid under standard conditions of temperature and pressure.

Melting point (Celsius)
204.00
Melting point (Kelvin)
477.15
Boiling point (Celsius)
576.20
Boiling point (Kelvin)
849.40
General information
Molecular weight
832.99g/mol
Molar mass
832.9900g/mol
Density
1.3620g/cm3
Appearence

The compound typically presents as a white crystalline powder under standard conditions.

Comment on solubility

Solubility of 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[2-[3-(tert-butoxycarbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid (C47H80O18)

The solubility of the compound 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[2-[3-(tert-butoxycarbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid is quite complex due to its intricate molecular structure. Here are some key points regarding its solubility:

  • Hydrophilicity vs. Hydrophobicity: The presence of multiple functional groups, including amino and carbonyl groups, suggest that this compound may exhibit some hydrophilic characteristics, potentially enhancing its solubility in polar solvents like water.
  • Hydrophobic Components: However, the tert-butoxycarbonyl (t-Boc) group and significant hydrophobic portions derived from the indole structure may limit its overall solubility in aqueous environments.
  • Organic Solvent Solubility: Given its substantial carbon framework, the compound is likely more soluble in organic solvents such as ethanol or dimethyl sulfoxide (DMSO).
  • General Trends: As a rule of thumb, compounds with large and complex structures, especially those filled with alkyl substituents, tend to be less soluble in water.

Overall, the solubility of this compound is a balance between its polar and non-polar characteristics, leading to a multifaceted behavior in different solvents. Understanding these nuances is crucial for applications in biological and pharmaceutical settings, where solubility can significantly affect bioavailability and drug design.

Interesting facts

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

This fascinating compound is a part of a larger class of substances known as complex peptides or bioactive molecules, which often exhibit varied biological activities. Here are some intriguing aspects:

  • Biological Relevance: This compound structure suggests it may interact with specific biological pathways. Compounds of this type can be potent in medicinal chemistry, particularly in the development of new therapies.
  • Structural Diversity: Its intricate design includes multiple functional groups, including both amines and carboxylic acids, which can lead to unique physical and chemical properties, enhancing potential drug-like characteristics.
  • Indole Derivatives: The presence of an indole moiety hints at a possible role in serotonin receptor modulation, which is significant in neurological research and could offer insights into treatments for depression or anxiety disorders.
  • Peptide Hormones: Since certain sequences resemble those found in peptide hormones, understanding this compound could help in elucidating signaling mechanisms in biological systems.
  • Potential Applications: Beyond pharmaceuticals, compounds like this might find application in fields such as agriculture or materials science, where bioactivity can influence crop protection or lead to novel material properties.

As scientists continue to explore compounds like 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[[2-[[2-[3-(tert-butoxycarbonylamino)propanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-oxo-butanoic acid, they uncover pathways that may revolutionize how we understand health and disease. The complexity of such molecules is both a challenge and an adventure, pushing the boundaries of what we know in chemistry.

In the words of a famous chemist, "The beauty of chemistry is that it gives us the tools to deconstruct nature and recreate it in novel ways."

Synonyms
NSC367746
SCHEMBL26046
CHEMBL14055
DTXSID00859914
BCP28259
Pentagastrin, >=95% (HPLC), powder
LS-15399
SBI-0654110.0001
L001257
N-(tert-Butoxycarbonyl)-beta-alanyltryptophylmethionyl-alpha-aspartylphenylalaninamide