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Tenofovir alafenamide

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Identification
Molecular formula
C21H29N3O9P
CAS number
379270-37-8
IUPAC name
4-[2-[2-[3-acetamido-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoylamino]-5-[[5-amino-1-[[2-(1-carboxyethylamino)-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid
State
State

At room temperature, Tenofovir alafenamide is in a solid state.

Melting point (Celsius)
237.00
Melting point (Kelvin)
510.15
Boiling point (Celsius)
400.00
Boiling point (Kelvin)
673.15
General information
Molecular weight
476.48g/mol
Molar mass
476.4770g/mol
Density
1.6801g/cm3
Appearence

Tenofovir alafenamide is a white to off-white powder. It is usually crystalline and can be processed in various forms for pharmaceutical use.

Comment on solubility

Solubility Overview

The compound 4-[2-[2-[3-acetamido-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoylamino]-5-[[5-amino-1-[[2-(1-carboxyethylamino)-1-methyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid (C21H29N3O9P) presents a complex structure which indicates varying solubility characteristics.

Key Factors Influencing Solubility

Several factors can affect the solubility of this compound:

  • Polarity: Given the presence of multiple hydroxyl groups and amino functionalities, the compound is likely to exhibit polar characteristics that can enhance solubility in polar solvents like water.
  • Hydrogen Bonding: The potential for hydrogen bonding due to functional groups such as amides and carboxylic acids may increase solubility in aqueous environments.
  • pH Dependence: The solubility may vary with pH due to ionization of the carboxylic acid and amine groups, affecting the overall charge of the molecule and its interaction with water.

Estimated Solubility

While specific solubility data is not provided for this complex compound, one might expect:

  • A moderate to high solubility in polar solvents.
  • Lower solubility in non-polar organic solvents due to its polar nature.

In conclusion, the solubility of C21H29N3O9P is anticipated to be influenced by structural characteristics and environmental factors, making it an intriguing subject for further research.

Interesting facts

Interesting Facts about 4-[2-[2-[3-Acetamido-2-[[[5-(2,4-Dioxopyrimidin-1-yl)-3,4-Dihydroxy-Tetrahydrofuran-2-yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-5-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-yl]Oxypropanoylamino]Propanoylamino]-5-[[5-Amino-1-[[2-(1-Carboxyethylamino)-1-Methyl-2-Oxo-Ethyl]Carbamoyl]Pentyl]Amino]-5-Oxo-Pentanoic Acid

This complex compound is a *bioactive molecule* that resides at the intersection of medicinal chemistry and pharmacology. Its structure reveals multiple functional groups, which play crucial roles in its biological activity. Here are several fascinating points about this compound:

  • Multifunctionality: The diverse functional groups present in the structure highlight the compound's multifaceted nature, allowing for potential interactions with various biological systems.
  • Phosphorylation: The presence of phosphoryl groups suggests that this compound may engage in phosphorylation reactions, making it a target for research into signal transduction and enzyme regulation.
  • Intermolecular Interactions: Its intricate design enables the possibility of forming strong intermolecular interactions, which can enhance its efficacy as a drug candidate.
  • Medicinal Potential: The derivation from purines and pyrimidines points to potential application in treating conditions like cancer or infections, making it an exciting subject for further investigation.
  • Structure-Activity Relationship: Understanding how modifications to its structure affect biological activity could reveal valuable insights into drug design and development.

In exploring this compound, researchers are not just analyzing a potential pharmacological agent; they are delving into the *complex interplay of chemistry and biology*. As scientists say, "The great thing about science is that it’s true whether or not you believe in it," and this compound exemplifies the profound impact that chemical structures can have on health and medicine.

Ultimately, the journey of studying such chemical constituents is both challenging and rewarding, offering new pathways to innovative therapies and a deeper understanding of life at the molecular level.

Synonyms
GTPL1291
4-[2-[2-[3-acetamido-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-[[6-amino-1-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid