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Tofacitinib

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Identification
Molecular formula
C16H20ClN5O
CAS number
477600-75-2
IUPAC name
N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine
State
State

Tofacitinib is typically solid at room temperature.

Melting point (Celsius)
215.00
Melting point (Kelvin)
488.00
Boiling point (Celsius)
726.50
Boiling point (Kelvin)
999.60
General information
Molecular weight
312.81g/mol
Molar mass
504.0000g/mol
Density
1.4174g/cm3
Appearence

Tofacitinib is a white to off-white powder.

Comment on solubility

Solubility of N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine

The solubility of N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine, with the chemical formula C16H20ClN5O, is an intriguing subject due to its unique molecular structure.

In general, the solubility of a compound can depend on several key factors:

  • Polarity: The presence of polar functional groups can enhance solubility in polar solvents.
  • Molecular size: Larger molecules may exhibit lower solubility due to steric hindrance.
  • Intermolecular interactions: Hydrogen bonding and Van der Waals forces significantly affect solubility.

For this specific compound, consider the following:

  • The presence of the chlorophenyl group may increase solubility in organic solvents due to its ability to facilitate nonpolar interactions.
  • On the other hand, the cyclohexylmethoxy part could enhance the overall hydrophobic character, potentially limiting solubility in water.
  • As a purine derivative, solubility may also be influenced by its ability to engage in hydrogen bonding with solvent molecules.

It is essential to examine specific experimental data when determining the solubility of N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine. As is often stated, "Solubility is key to a compound's bioactivity and application," making it crucial to assess how this molecule behaves in various environments.

In summary, while predictions can be made based on structural characteristics, empirical studies are essential for a precise understanding of the solubility of this compound.

Interesting facts

Interesting Facts about N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine

N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine is a fascinating chemical compound belonging to the purine family, which makes it structurally related to many biologically significant molecules, including nucleotides and nucleic acids. Here are some intriguing aspects of this compound:

  • Bioactivity: This compound has shown potential bioactive properties that could be of interest in various fields such as pharmacology and medicinal chemistry. Compounds that contain purine structures are often noted for their roles in cellular metabolism and regulation.
  • Structure-Activity Relationship: The presence of the 3-chlorophenyl group and the cyclohexylmethoxy moiety suggests that modifications to their placements can lead to variations in biological activity, offering a rich field for research into drug design.
  • Research Applicability: Due to its unique structure, this compound might serve as a lead compound for developing new therapeutic agents, especially in targeting specific receptors or pathways involved in diseases such as cancer or neurological disorders.
  • Heterocyclic Chemistry: The purine scaffold provides a versatile platform that has inspired a plethora of derivatives. This compound's unique substitution brings forth diverse reactivity and properties, making it a subject of continuous interest in heterocyclic chemistry.

As scientists continue to explore the therapeutic potentials of purine derivatives, compounds like N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine stand as a testament to the intricate relationship between molecular structure and biological function. Additionally, the exploration of its synthesis and performance in biological assays can unveil new pathways in drug discovery.

Synonyms
6-CYCLOHEXYLMETHOXY-2-(3'-CHLOROANILINO) PURINE
444722-81-0
N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-7H-purin-2-amine
DTXSID10274437
N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-9H-purin-2-amine
O6-Cyclohexylmethylguanine deriv. 15
1h1r
7ZB2ZT8JKM
BDBM5531
CHEMBL341273
SCHEMBL6790651
DTXCID80225916
DB07203
6CP
PD005462
NS00069274
2-(3 -Chloroanilino)-6-cyclohexylmethoxypurine
Q27096124
9H-Purin-2-amine, N-(3-chlorophenyl)-6-(cyclohexylmethoxy)-