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Telaprevir

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Identification
Molecular formula
C36H53N7O6
CAS number
402957-28-2
IUPAC name
N-(2-hydroxy-4,7-diisopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
State
State
Telaprevir is a solid at room temperature.
Melting point (Celsius)
186.00
Melting point (Kelvin)
459.15
Boiling point (Celsius)
586.00
Boiling point (Kelvin)
859.15
General information
Molecular weight
679.88g/mol
Molar mass
679.8760g/mol
Density
1.3790g/cm3
Appearence

Telaprevir appears as a white to off-white crystalline powder.

Comment on solubility

Solubility of N-(2-hydroxy-4,7-diisopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

The solubility of the compound with the formula C36H53N7O6 is a complex subject due to its intricate structure involving multiple functional groups. This compound is likely to exhibit varying solubility in different solvents. Below are some considerations regarding its solubility:

  • Polarity: The presence of polar functional groups, such as hydroxyl (–OH) and carboxamide (–CONH2), suggests potential solubility in polar solvents like water and methanol.
  • Hydrophobic Regions: The significant hydrophobic (non-polar) regions introduced by isopropyl groups may limit solubility in highly polar solvents, leading to better solubility in organic solvents like DMSO or acetone.
  • Influence of Temperature: As with many organic compounds, temperature may also play a critical role in solubility, often increasing with elevated temperatures.

It is essential to conduct empirical testing to evaluate the solubility of this compound in various solvents to achieve a comprehensive understanding. As noted, "dynamics of solubility are highly dependent on molecular interactions," making it a compelling subject for investigation!

Interesting facts

Interesting Facts about N-(2-hydroxy-4,7-diisopropyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

This complex compound, known for its intricate structure and unique properties, belongs to a class of chemotherapeutic agents that exhibit promising biological activities. Here are some intriguing aspects regarding this fascinating molecule:

  • Structural Complexity: The compound possesses a tricyclic framework, which often contributes to its biological activity. Such multi-ring systems are a hallmark of many pharmaceuticals, allowing for diverse interactions within biological systems.
  • Potential Therapeutic Applications: Investigations have suggested that derivatives of this compound could be effective in targeting specific types of cancer. Researchers are exploring how its moieties interact with cellular mechanisms, potentially leading to advancements in oncology.
  • Mechanism of Action: Compounds with similar structures often work by disrupting the cell cycle or inducing apoptosis in cancer cells. The presence of dioxo groups may play a vital role in enhancing these effects.
  • Synthesis Challenges: The synthesis of this compound is complex and typically requires multiple synthetic steps. This not only emphasizes its structural complexity but also reflects the level of expertise required to produce such intricate molecules in the lab.
  • Interdisciplinary Interest: Chemists, biologists, and pharmacologists are all drawn to compounds like this one. The potential for multi-target interaction makes it a compound of interest across various fields, highlighting the interconnected nature of modern scientific research.

As one examines the compound's potential, it becomes clear that its role in medicinal chemistry could pave the way towards innovative treatment strategies. The complexities and interactions inherent to such compounds are a reflection of the intricate nature of the biochemical world.

In the words of a prominent chemist, "Chemistry is the study of transformations; every compound holds the secret to new possibilities." It is this spirit of exploration that drives ongoing research into compounds like this one, with hopes of unlocking their full potential.

Synonyms
Ergocornin
NSC407316
(8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione
Ergocorninin
N-[2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
12'-Hydroxy-2',5'-.alpha.-bis(1-methylethyl)ergotaman-3',6',18-trione
CHEMBL1972911
(5'.alpha.)-12'-Hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione
Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'.alpha.)-
NCI60_003880
XE180552
NS00079758
12'-Hydroxy-2',5'-diisopropyl-3',6',18-trioxoergotaman #
Ergotaman-3',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'.alpha.)-