Elastase-specific inhibitor | Solubility of Things

Identification

Molecular formula

C₄₄H₆₁N₅O₁₅

CAS number

143108-66-3

IUPAC name

[6-hydroxy-5-[3-[[4-[2-[[7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxy-tetrahydropyran-2-yl]oxy-8-methyl-2-oxo-chromen-3-yl]amino]-2-oxo-ethyl]-3-methyl-1H-pyrrole-2-carbonyl]amino]-8-methyl-2-oxo-chroman-7-yl]oxy-2-methoxy-3,3-dimethyl-cyclohexyl] 5-methyl-1H-pyrrole-2-carboxylate

State

The compound is in a solid state at room temperature, generally stable if kept in appropriate pharmaceutical storage conditions.

Melting point (Celsius)

220.00

Melting point (Kelvin)

493.15

Boiling point (Celsius)

325.00

Boiling point (Kelvin)

598.15

General information

Molecular weight

923.09g/mol

Molar mass

923.0930g/mol

Density

1.3400g/cm³

Appearence

The compound is typically a fine white crystalline powder. It is often stored in a dry state to maintain its purity and reactivity.

Comment on solubility

Solubility of the Compound

The solubility of the compound 6-hydroxy-5-[3-[[4-[2-[[7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxy-tetrahydropyran-2-yl]oxy-8-methyl-2-oxo-chromen-3-yl]amino]-2-oxo-ethyl]-3-methyl-1H-pyrrole-2-carbonyl]amino]-8-methyl-2-oxo-chroman-7-yl]oxy-2-methoxy-3,3-dimethyl-cyclohexyl] 5-methyl-1H-pyrrole-2-carboxylate (C₄₄H₆₁N₅O₁₅) can be quite complex. Generally, the solubility of organic compounds can be determined by a few key factors:

Polarity: The presence of hydroxyl (-OH) and methoxy (-OCH₃) groups often increases the compound's polarity, enhancing its ability to dissolve in polar solvents such as water.

Hydrophobic Structures: The substantial hydrophobic cyclohexyl and pyrrole components may restrict solubility in polar solvents, indicating that non-polar solvents could be more suitable for dissolving this compound.

Hydrogen Bonding: The ability to form hydrogen bonds will also play a significant role; for example, the hydroxyl groups can act as hydrogen bond donors and recipients, potentially increasing solubility in certain solvents.

Thermodynamic Properties: Factors such as temperature and pressure may also influence solubility, making it essential to consider environmental conditions during dissolution experiments.

In conclusion, predicting the solubility of this compound requires a consideration of its complex structure and functional groups. While it may show moderate solubility in some polar solvents, it may exhibit greater solubility in non-polar and organic solvents due to its extensive hydrophobic regions. Therefore, experimentation is often necessary to determine its actual solubility behavior in various solvents.

Interesting facts

Interesting Facts about 6-hydroxy-5-[3-[[4-[2-[[7-[3-hydroxy-5-methoxy-6,6-dimethyl-4-(5-methyl-1H-pyrrole-2-carbonyl)oxy-tetrahydropyran-2-yl]oxy-8-methyl-2-oxo-chromen-3-yl]amino]-2-oxo-ethyl]-3-methyl-1H-pyrrole-2-carbonyl]amino]-8-methyl-2-oxo-chroman-7-yl]oxy-2-methoxy-3,3-dimethyl-cyclohexyl 5-methyl-1H-pyrrole-2-carboxylate

This compound, a complex molecule with a variety of functional groups, is a testament to the intricate world of organic chemistry. Here are some fascinating insights:

Diverse Functional Groups: The structure features multiple functional groups including methoxy, hydroxy, and carbonyl groups, which contribute to its potential reactivity and biological activity.

Pyrrole Derivative: It includes pyrrole rings, known for their role in various natural products and the incorporation in pharmaceuticals, particularly as precursors in many drug synthesis pathways.

Potential Applications: Given its structural complexity, it may serve as a lead compound in the development of new therapeutic agents, particularly in the fields of antibiotics, antitumor drugs, and anti-inflammatory agents.

Chirality: The presence of multiple chiral centers implies that this compound can exist in several enantiomeric forms, which can exhibit vastly different biological activities and pharmacokinetic profiles.

Natural Product Inspiration: Its intricate structure suggests it could be derived or inspired by natural products, leading to an exploration of biodiversity and its potential in pharmacognosy.

As the study of such compounds progresses, their complexities remind us of nature's creativity and the potential for groundbreaking discoveries in medicinal chemistry. Researchers continuously seek innovative methods to synthesize and manipulate such intricate structures, aiming for applications that enhance human health and well-being.