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IK-929

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Identification
Molecular formula
C31H40N4O6S
CAS number
59277-89-3
IUPAC name
N-tert-butyl-3-[2-hydroxy-3-[[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide
State
State

This compound is typically a crystalline solid at room temperature. Its solidity is attributed to the complex molecular structure which forms a stable and rigid assembly.

Melting point (Celsius)
220.00
Melting point (Kelvin)
493.15
Boiling point (Celsius)
572.00
Boiling point (Kelvin)
845.15
General information
Molecular weight
621.76g/mol
Molar mass
621.7890g/mol
Density
1.3600g/cm3
Appearence

N-tert-butyl-3-[2-hydroxy-3-[[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide appears as a solid with a crystalline structure. The color can range from white to off-white to light yellow depending on purity and specific formulation. It generally does not have a notable odor.

Comment on solubility

Solubility of N-tert-butyl-3-[2-hydroxy-3-[[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide

The solubility of the compound N-tert-butyl-3-[2-hydroxy-3-[[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide (C31H40N4O6S) can be quite complex due to its intricate structure and various functional groups. Here are some key points regarding its solubility characteristics:

  • Hydrophilicity vs. Hydrophobicity: The presence of multiple polar functional groups, such as hydroxyl (-OH) and carboxamide (-CONH2), suggests that the compound may exhibit some degree of solubility in aqueous solutions.
  • Organic Solvents: Given the presence of several non-polar moieties, especially the tert-butyl and phenyl groups, it is likely to be soluble in organic solvents like ethanol, methanol, or DMSO.
  • pH Dependence: The solubility might also vary with pH changes, as protonation or deprotonation of the amine or carboxamide groups could influence its solubility in water.
  • Possible Precipitation: In certain conditions, the compound may tend to precipitate out of solution due to its complex interactions, particularly in highly concentrated solutions.

In conclusion, while it is expected that N-tert-butyl-3-[2-hydroxy-3-[[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide has a dual nature concerning solubility, the specific environment, including solvent choice and temperature, will play critical roles in determining its final solubility profile.

Interesting facts

Exploring N-tert-butyl-3-[2-hydroxy-3-[[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide

This intriguing compound, with a complex structure, is primarily recognized for its potential applications in medicinal chemistry and drug development. It showcases the integration of multiple functional groups that contribute to its diverse biological activities.

Key Highlights:

  • Pharmacological Significance: Compounds featuring thiazolidine frameworks are often investigated for their therapeutic properties, particularly in the fields of diabetes and cancer.
  • Molecular Complexity: The extensive and varied molecular motifs, including isoquinoline and thiazolidine moieties, demonstrate the compound’s potential for engaging with various biological targets.
  • Structure-Activity Relationship (SAR): Studying this compound can provide insights into how the different parts of its structure influence biological activity, crucial for the design of more effective drugs.

The compound also highlights the elegance of organic synthesis, where a series of reactions enables chemists to construct sophisticated molecules. As chemist John C. McMurtry once said, “Molecules are the building blocks of life; understanding them opens doors to innovative therapies.” This emphasizes the importance of compounds like N-tert-butyl-3-[2-hydroxy-3-[[2-[[2-(5-isoquinolyloxy)acetyl]amino]-3-methylsulfanyl-propanoyl]amino]-4-phenyl-butanoyl]thiazolidine-4-carboxamide in the ongoing research aimed at enhancing human health.

Moreover, research into this compound may lead to the discovery of new methodologies in organic synthesis and inspire further advancements in medicinal chemistry.

Synonyms
Kynostatin-272
KNI 272; Kynostatin; NSC 651714
SCHEMBL7655076
3-[3-benzyl-2-hydroxy-9-(isoquinolin-5-yloxy)-6-methylsulfanylmethyl-5,8-dioxo-4,7-diazanonanoyl]-N-t-butyl-1,3-thiazolidine-4-carboxamide