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Abemaciclib

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Identification
Molecular formula
C27H32ClN7O
CAS number
1231929-97-7
IUPAC name
2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol
State
State

At room temperature, Abemaciclib is typically in a solid state. It is commonly in the form of a powder, making it easy to handle and process for pharmaceutical formulations.

Melting point (Celsius)
149.00
Melting point (Kelvin)
422.15
Boiling point (Celsius)
400.00
Boiling point (Kelvin)
673.15
General information
Molecular weight
506.58g/mol
Molar mass
506.5840g/mol
Density
1.3252g/cm3
Appearence

Abemaciclib is typically a white to yellow powder. This is due to its crystalline structure. The powder is fine and can easily be compacted.

Comment on solubility

Solubility of 2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol

The solubility of the compound 2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol (C27H32ClN7O) presents intriguing characteristics due to its complex structure. Understanding its solubility is essential for assessing its stability and bioavailability in various applications.

Factors Influencing Solubility

  • Polarity: The presence of polar functional groups like the hydroxyl group in the compound can enhance solubility in polar solvents, such as water.
  • Molecular Weight: With a relatively high molecular weight (C27H32ClN7O), the compound may exhibit less solubility compared to lower molecular weight counterparts.
  • Hydrophobic Character: The isopropyl and other alkyl groups contribute to some hydrophobic character, which might limit its solubility in aqueous environments.
  • Temperature: Like many organic compounds, solubility can increase with temperature, which may be a critical aspect for formulation.

Overall, the solubility of this compound is expected to be modest. In organic solvents such as DMSO or ethanol, it may reveal better solubility profiles compared to aqueous solutions. Thorough solubility testing is recommended to establish precise conditions for its practical applications.

Interesting facts

Interesting Facts about 2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol

This compound is a fascinating example of a complex organic molecule that carries significant implications in the realm of medicinal chemistry. Its structure showcases a rich interplay of various functional groups and aromatic rings, leading to unique properties and potential applications.

Key Features:

  • Multi-functional Nature: The compound features both purine and alcohol functionalities, making it a versatile candidate for drug development.
  • Chlorine Substitution: The presence of a chlorine atom in the structure can influence solubility and biological activity, often enhancing the potency of pharmaceutical compounds.
  • Potential Biological Activity: Due to its purine base, the compound may interact with nucleotide pathways, which can be pivotal in targeting cellular processes in various diseases.
  • Isopropyl Group: The isopropyl moiety adds steric bulk, which may modulate the interactions of the molecule with biological targets, potentially affecting its pharmacokinetics.

The intricacies of this compound exemplify how slight modifications in chemical structure can lead to vastly different biological effects. As noted by chemists, "The beauty of medicinal chemistry lies in the ability to optimize compounds for desired therapeutic outcomes." This compound’s synthesis could provide deeper insights into the development of new therapeutic agents, especially in oncology or virology. Further research may illuminate its efficacy and mechanisms of action, thus paving the way for innovative medical treatments.

Synonyms
CHEMBL103579
2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
AC1L1JD0
IN1131
GTPL6030
SCHEMBL3311119
CHEBI:93781
DTXSID70870237
2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol
HMS3229M14
BDBM50546239
HSCI1_000128
AKOS030238850
CCG-206875
220792-00-7
AS-56365
DA-18093
DS-000034
K00014
Q27088483
2-{[6-(3-Chloroanilino)-9-(propan-2-yl)-9H-purin-2-yl]amino}-3-methylbutan-1-ol