GnRH Antagonist | Solubility of Things

Identification

Molecular formula

C₇₂H₉₅N₁₇O₁₄

CAS number

220849-30-1

IUPAC name

N-[2-[[2-[[2-[[2-[[1-(tert-butoxymethyl)-2-[[1-[[4-guanidino-1-[2-(ureidocarbamoyl)pyrrolidine-1-carbonyl]butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-(4-hydroxyphenyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide

State

The compound is typically solid at room temperature. It is stable under normal conditions and does not readily vaporize or decompose. Due to its high melting point, the compound remains solid even under moderately elevated temperatures usually encountered during transport or storage.

Melting point (Celsius)

265.00

Melting point (Kelvin)

538.15

Boiling point (Celsius)

480.00

Boiling point (Kelvin)

753.15

General information

Molecular weight

1303.46g/mol

Molar mass

1 303.4360g/mol

Density

1.1361g/cm³

Appearence

The compound typically appears as a white, crystalline powder. It may also be encountered in a lyophilized form for pharmaceutical applications. The powder is usually odorless and has a fine texture, making it easy to handle in a laboratory setting.

Comment on solubility

Solubility of N-[2-[[2-[[2-[[2-[[1-(tert-butoxymethyl)-2-[[1-[[4-guanidino-1-[2-(ureidocarbamoyl)pyrrolidine-1-carbonyl]butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-(4-hydroxyphenyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide

The solubility of this complex compound, C₇₂H₉₅N₁₇O₁₄, is influenced by its intricate structure and the presence of various functional groups. Understanding its solubility requires consideration of several key factors:

Hydrophilic and Hydrophobic Balance: The compound contains both hydrophilic (e.g., amine and guanidine groups) and hydrophobic (e.g., tert-butyl and phenyl groups) regions, which can lead to varied solubility profiles in aqueous vs. organic solvents.
pH Sensitivity: Given the presence of guanidino and carbamoyl functional groups, the solubility can significantly change with pH, potentially being higher in acidic or basic solutions.
Temperature Dependence: Solubility may also vary with temperature; higher temperatures often increase solubility for many compounds.
Interactions with Solvents: The nature of interactions with different solvents (hydrogen bonding, dipole interactions) will greatly affect solubility.

Overall, predicting the exact solubility behavior of this compound in different solvents is complex due to its intricate structure, and it will likely require experimental validation to establish precise solubility characteristics. As a general rule, such compounds tend to show good solubility in polar organic solvents due to their extensive hydrogen-bonding capabilities.

Interesting facts

Interesting Facts about N-[2-[[2-[[2-[[2-[[1-(tert-butoxymethyl)-2-[[1-[[4-guanidino-1-[2-(ureidocarbamoyl)pyrrolidine-1-carbonyl]butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-(4-hydroxyphenyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide

N-[2-[[2-[[2-[[2-[[1-(tert-butoxymethyl)-2-[[1-[[4-guanidino-1-[2-(ureidocarbamoyl)pyrrolidine-1-carbonyl]butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-(4-hydroxyphenyl)-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-5-oxo-pyrrolidine-2-carboxamide is a fascinating and complex compound known for its unique structure and potential applications. Here are some intriguing aspects of this remarkable chemical:

Bioactivity: This compound has garnered attention in pharmaceutical research due to its potential biological activities, including anti-cancer properties. The multiple functional groups may enhance its interaction with biological targets, making it a candidate for drug development.
Complexity: With a large molecular structure consisting of various subunits, this compound exemplifies the diversity found in organic molecules. Understanding its synthesis and interactions can provide insights into advanced organic chemistry.
Multimodal Interaction: The presence of groups like ^guanidino and ^{hydroxyphenyl} implies that it could interact with multiple biological pathways simultaneously, offering a multifaceted approach to therapeutic strategies.
Structure-Activity Relationship: Researchers often study the relationship between a molecule's structure and its biological effectiveness. The varied functional groups in this compound promote interesting studies in structure-activity relationships (SAR).

As the exploration of such intricate compounds continues, they pave the way for innovative therapies and a deeper understanding of biological systems. This particular compound stands at the frontier of medicinal chemistry, illustrating the intricate link between molecular design and biological function.