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AstraZeneca compound AZD2281

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Identification
Molecular formula
C24H23N3O7
CAS number
763113-22-0
IUPAC name
[(7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-5-propyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
State
State

This compound is typically a solid at room temperature.

Melting point (Celsius)
204.00
Melting point (Kelvin)
477.15
Boiling point (Celsius)
374.80
Boiling point (Kelvin)
647.95
General information
Molecular weight
434.48g/mol
Molar mass
434.4760g/mol
Density
1.2800g/cm3
Appearence

The compound appears as a white to yellowish crystalline powder, which is typical of many organic compounds used in pharmaceutical applications. It is relatively stable under normal storage conditions.

Comment on solubility

Solubility Overview

The compound [(7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-5-propyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate exhibits intriguing properties with regards to its solubility.

Solubility Characteristics

When considering the solubility of this compound, it's essential to take into account several factors:

  • Polar vs. Non-polar Nature: The presence of functional groups such as amino and methoxy suggests some degree of polarity, which typically enhances solubility in polar solvents like water.
  • Hydrogen Bonding: The amino group can participate in hydrogen bonding, which may significantly improve affinity for aqueous solutions.
  • Structural Complexity: The tetracyclic structure and the carbamate moiety could lead to varying solubility behaviors depending on environmental conditions.
  • pH Sensitivity: Solubility may also change with pH levels due to the potential for protonation of the amino group, which can influence its ionic character.

Based on these characteristics, one might posit that the compound is moderately soluble in water but could show improved solubility in organic solvents. However, definitive solubility profiles would ideally require experimental determination due to the compound's complexity.

Conclusion

In conclusion, the solubility of [(7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-5-propyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate appears to be influenced by its multifaceted structure and functional group interactions. As always, a thorough experimental approach is recommended to gain insight into its practical solubility behaviors.

Interesting facts

Interesting Facts about [(7R,8S)-11-amino-7-methoxy-12-methyl-10,13-dioxo-5-propyl-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

This compound is a fascinating example of a complex organic molecule that showcases the intricacies of chemical structure and functionality. Here are some key facts about it:

  • Synthetic Applications: The unique structure of this compound may lend itself to valuable applications in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals due to its potential bioactivity.
  • Chiral Centers: The presence of multiple chiral centers in its configuration suggests significant implications for stereochemistry, which can influence the compound's biological activity and interaction with biological systems.
  • Mechanistic Pathways: The presence of amino and methoxy groups hints at possible reactivity pathways, making this compound an interesting subject for studying reaction mechanisms in organic synthesis.
  • Structural Variation: The tetracyclic framework of this compound presents a challenge to chemists, as the rigid structure can confer unique properties, impacting how it interacts in various environments, both in vitro and in vivo.
  • Environmental Chemistry: Understanding the degradation pathways of such carbamate derivatives is crucial, as they can have environmental implications when used in agricultural applications.
  • Potential Uses: While research is ongoing, compounds like this one often find roles in medicinal chemistry, particularly in the design of antibiotic or anticancer agents.

As a student or scientist delving into the world of organic chemistry, this compound serves as a reminder of the importance of structure-function relationships in chemical compounds. With its intricate design, researchers are continually inspired to explore its potential and understand how structural complexities can lead to innovative solutions in various fields.

Synonyms
DTXSID00936274
(6-Amino-8a-methoxy-5-methyl-4,7-dioxo-1-propyl-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate