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Tirofiban

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Identification
Molecular formula
C22H36N8O12
CAS number
144494-61-9
IUPAC name
2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine
State
State

At room temperature, Tirofiban is a solid compound. It is typically administered in its hydrated form as a solution in therapeutic settings.

Melting point (Celsius)
254.00
Melting point (Kelvin)
527.15
Boiling point (Celsius)
235.50
Boiling point (Kelvin)
508.65
General information
Molecular weight
495.60g/mol
Molar mass
495.6010g/mol
Density
1.2420g/cm3
Appearence

Tirofiban is generally encountered as a white to off-white powdery substance. It is known for its crystalline structure that forms upon purification.

Comment on solubility

Solubility of 2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine

The solubility of the compound 2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine (C22H36N8O12) is influenced by its intricate structure that includes multiple hydroxyl (-OH) groups and guanidine functionalities. These features are pivotal in determining its interaction with solvents.

Key points about solubility:

  • Polar Nature: The presence of numerous hydroxyl groups suggests that the compound is highly polar. This typically enhances solubility in polar solvents such as water.
  • Hydrogen Bonding: The -OH groups can engage in significant hydrogen bonding, further favoring solubility in aqueous environments.
  • Potential Challenges: High molecular weight and the complex branching of the structure may hinder solubility in certain organic solvents.
  • Temperature Effects: Solubility can vary with temperature; higher temperatures may increase solubility for many compounds.

In summary, while the compound is likely to exhibit good solubility in aqueous solutions due to its polar characteristics, its overall solubility profile may differ based on solvent choice and environmental conditions. As stated, "The key to solubility lies in the interaction between solute and solvent," illustrating the importance of both structure and environmental factors in solubility outcomes.

Interesting facts

Interesting Facts about 2-[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)tetrahydropyran-2-yl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyl-tetrahydrofuran-2-yl]oxy-5-guanidino-3,4,6-trihydroxy-cyclohexyl]guanidine

This compound, often referred to as a complex polyhydroxylated guanidine, exhibits intriguing features that make it a subject of interest in both academic and pharmaceutical fields. Here are some notable aspects:

  • Structural Complexity: The compound possesses a highly intricate structure, featuring multiple hydroxyl groups and a guanidine moiety that contribute to its unique chemical behavior.
  • Potential Biological Activity: Due to the presence of various hydroxyl and amino functional groups, it is believed that the compound may interact with biological systems, possibly influencing pathways related to glucoregulation or serving as a precursor in the synthesis of more complex biologically active molecules.
  • Effect on Cell Signaling: Compounds of this nature are often investigated for their ability to modulate cell signaling pathways, given their structural similarities to natural biochemicals. This can lead to insights in drug development and therapeutic applications.
  • Research Applications: Chemists have been exploring such compounds for use in drug delivery systems and as enzyme inhibitors. Their extensive hydroxylation offers opportunities for novel interactions in molecular docking studies.
  • Interdisciplinary Interest: The study of such compounds transcends traditional chemistry, engaging biochemists, pharmacologists, and material scientists, highlighting their potential in diverse fields.

In conclusion, the unique features and potential applications of this complex guanidine derivative exemplify the ongoing exploration in the realm of chemical research and pharmacology. As the field progresses, understanding compounds like this one may unlock new therapeutic avenues and contribute significantly to modern medicine.

Synonyms
1,1'-[4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
DTXSID60859253
BBL033779
STL372896
STL455078
AKOS025247995
2,2'-[4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
N,N'-[4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)hexopyranosyl]-3-C-(hydroxymethyl)pentofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine