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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]ethanol
State
State

At room temperature, Abemaciclib is found in a solid state, usually in the form of a crystalline powder.

Melting point (Celsius)
193.00
Melting point (Kelvin)
466.15
Boiling point (Celsius)
764.80
Boiling point (Kelvin)
1 037.95
General information
Molecular weight
506.05g/mol
Molar mass
506.5770g/mol
Density
1.2000g/cm3
Appearence

Abemaciclib is a white to yellow solid compound. It typically appears as a crystalline powder and is not soluble in water.

Comment on solubility

Solubility of 2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]ethanol

The solubility of 2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]ethanol, represented by the chemical formula C27H32ClN7O, is influenced by its complex molecular structure. Understanding the solubility behavior of this compound encompasses considerations of:

  • Polarity: The presence of both polar and nonpolar regions in its structure can lead to varied solubility in different solvents.
  • Functional Groups: The hydroxyl (-OH) group tends to increase solubility in polar solvents, such as water, while the aromatic and bulky isopropyl groups may favor solubility in organic solvents.
  • Hydrogen Bonding: The ability to form hydrogen bonds can enhance solubility in aqueous solutions, contributing to its dissolution dynamics.
  • Temperature Effects: Solubility may vary significantly with temperature changes, often increasing in warmer conditions.

In practical terms, you can generally anticipate the following:

  1. Moderate solubility in polar solvents, notably in ethanol and methanol.
  2. Lower solubility in nonpolar solvents due to the steric hindrances presented by the isopropyl and chloroaniline groups.
  3. Solubility behavior might exhibit pH-dependency, particularly in biological systems.

In conclusion, while predicting the exact solubility parameters can be challenging, the intricate balance of its structural characteristics suggests a nuanced solubility profile that merits careful experimentation and analysis. As with many compounds, context such as solvent choice and environmental factors plays a crucial role in solubility behavior. Overall, understanding the solubility of this compound is essential for its applications in pharmacology and material science.

Interesting facts

Interesting Facts about 2-[[6-(3-Chloroanilino)-9-isopropyl-purin-2-yl]amino]ethanol

This compound belongs to a fascinating class of molecules known as purines, which are essential components of nucleic acids like DNA and RNA. As a chemistry student or researcher, you will find several intriguing aspects of this compound:

  • Purin Derivative: The compound features a purine base structure that is crucial for understanding biological processes such as energy transfer and information storage in living organisms.
  • Chloroaniline Functionality: Incorporating a chloroaniline group enhances the compound's potential reactivity and may influence its biological activity, making it of interest for medicinal chemistry.
  • Isopropyl Group: The isopropyl substitution can affect the molecule's hydrophobicity, which plays a vital role in drug-likeness, impacting how the compound interacts with biological membranes.
  • Potential Pharmacological Applications: Compounds with similar structures have been explored for their anti-cancer, anti-viral, and anti-inflammatory properties, again emphasizing its significance in pharmaceutical research.
  • Research Implications: The complex molecular architecture provides ample opportunity for structure-activity relationship (SAR) studies, which are essential in drug development.

In summary, 2-[[6-(3-chloroanilino)-9-isopropyl-purin-2-yl]amino]ethanol exemplifies the interplay between chemical structure and biological activity. The exploration of such compounds can lead to significant advances in therapeutic strategies, making it an exciting subject for any student or professional in the field.

Synonyms
212779-48-1
compound 52
NG 52
2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE
NG-52
2-((6-((3-chlorophenyl)amino)-9-isopropyl-9H-purin-2-yl)amino)ethan-1-ol
CHEMBL311228
2-[[6-(3-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]ethanol
compound 52 [PMID: 9677190]
OLP
2-({6-[(3-Chlorophenyl)amino]-9-isopropyl-9H-purin-2-yl}amino)ethanol
2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)ethan-1-ol
2-((6-((3-Chlorophenyl)amino)-9-isopropyl-9H-purin-2-yl)amino)ethanol
compound52
3bpr
Compound 52; 2-(2-Hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine
MFCD02179196
NG 52 (Compound 52 )
GTPL5955
NG52
SCHEMBL1181087
NG 52 (Compound 52 )?
DTXSID80274388
2,6,9-Trisubstitute purine, 2
HMS3229E14
BCP15154
BDBM50113707
HSCI1_000070
s6540
AKOS026750316
CCG-206834
CS-1187
DB08325
SDCCGSBI-0086746.P003
NCGC00378928-02
AC-35235
AS-77220
HY-15154
NS00069008
K00015
K00222
BRD-K02909970-001-01-9
BRD-K02909970-001-02-7
Q27076720
2-({6-[(3-CHLOROPHENYL)AMINO]-9-ISOPROPYLPURIN-2-YL}AMINO)ETHANOL
2-[6-(3-Chloro-phenylamino)-9-isopropyl-9H-purin-2-ylamino]-ethanol
2-{[(6Z)-6-[(3-chlorophenyl)imino]-9-(1-methylethyl)-6,9-dihydro-3H-purin-2-yl]amino}ethanol