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Raltegravir

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Identification
Molecular formula
C20H20F1N5O3
CAS number
518048-05-0
IUPAC name
4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexanol
State
State

At room temperature, Raltegravir is typically in a solid state. It is provided as a powder for formulation into oral tablets, due to its therapeutic use.

Melting point (Celsius)
218.00
Melting point (Kelvin)
491.20
Boiling point (Celsius)
315.20
Boiling point (Kelvin)
588.30
General information
Molecular weight
444.44g/mol
Molar mass
444.4420g/mol
Density
1.3724g/cm3
Appearence

Raltegravir typically appears as a white to off-white powder. It is very slightly soluble in water and slightly soluble in alcohols and other organic solvents. Due to its specific chemical structure, it may not exhibit some characteristic features such as odor.

Comment on solubility

Solubility of 4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexanol

The compound 4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexanol, with the chemical formula C20H20F1N5O3, exhibits interesting solubility characteristics worthy of examination. Understanding solubility is critical for evaluating the behavior of chemical compounds in various environments, especially for applications in pharmaceuticals and materials science.

General Solubility Insights

Several factors govern the solubility of this compound:

  • Polarity: Given its significant number of polar functional groups, including the imidazole and methoxypyrimidine moieties, this compound likely possesses moderate solubility in polar solvents, particularly in alcohols and dimethyl sulfoxide (DMSO).
  • Hydrophobic Interactions: The cyclohexanol structure and fluorobenzene ring introduce hydrophobic characteristics, suggesting limited solubility in non-polar solvents.
  • Hydrogen Bonding: The ability to form hydrogen bonds could enhance solubility in water, but steric hindrance from bulky groups may limit this potential.

As a general trend, compounds with similar structures may show solubility patterns like:

  1. Higher solubility in polar organic solvents.
  2. Decreased solubility in non-polar solvents due to hydrophobic effects.
  3. Possible complexation with solubilizing agents to improve overall solubility.

In summary, while predicting exact solubility can be challenging without empirical data, the balance between polar and non-polar characteristics points to a distinctive solubility profile, making this compound potentially versatile in various chemical environments.

Interesting facts

Interesting Facts about 4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexanol

This compound, often referred to for its intricate structure and potential applications, falls within the realm of pharmaceuticals. Its unique composition brings together various functional groups that contribute to its therapeutic properties.

Key Features:

  • Fluorine Substitution: The presence of a fluorophenyl group is noteworthy. Fluorine atoms often enhance metabolic stability and affect lipophilicity, leading to improved absorption in biological systems.
  • Pyrimidine Linkage: Incorporating a pyrimidine ring introduces several interesting biochemical interactions, possibly influencing enzyme activity and receptor binding.
  • Imidazole Core: The imidazole structure is known for its role in many natural compounds and drugs, making this compound a potential candidate for research in medicinal chemistry.

As highlighted in research literature, compounds with such complex architectures can display a wide range of biological activities, including:

  • Antimicrobial effects
  • Anticancer properties
  • Inhibition of specific enzyme pathways

The compound's ability to mimic or interact with biological molecules makes it an important subject of study for potential drug development. Scientists are particularly interested in how variations in molecular structure can influence activity, and this compound serves as an excellent model for such explorations.

In summary, 4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexanol stands as a prime example of how subtle changes in chemical structure can lead to significant variations in biological function, proving that in chemistry, every atom within a compound has its story to tell.

Synonyms
193551-21-2
SB 239063
SB-239063
SB239063
Cyclohexanol, 4-(4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl)-, trans-
MFCD03792786
trans-1-(4-hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypyridimidin-4-yl)imidazole
HII3DC8CPI
CHEMBL97162
CHEMBL4166018
CHEBI:90681
4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexan-1-ol
(1r,4r)-4-(4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl)cyclohexanol
Trans-4-[4-(4-Fluorophenyl)-5-(2-Methoxypyrimidin-4-Yl)-1h-Imidazol-1-Yl]cyclohexanol
Rel-(1r,4r)-4-(4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl)cyclohexan-1-ol
UNII-HII3DC8CPI
ZQUSFAUAYSEREK-UHFFFAOYSA-N
Kinome_3168
Tocris-1962
MLS006010690
SCHEMBL173595
SCHEMBL173596
CHEMBL256835
SCHEMBL4918359
SCHEMBL13933075
CHEBI:91347
DTXSID90274455
ZQUSFAUAYSEREK-WKILWMFISA-N
HMS3229P03
HMS3265G05
HMS3265G06
HMS3265H05
HMS3265H06
HMS3268O18
HMS3412P04
HMS3676P04
EX-A1259
BDBM50105742
BDBM50279528
NSC756653
s7741
SB 239063 - Bio-X trade mark
4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazol-1-yl]cyclohexanol
AKOS024456880
AKOS030260367
CCG-268267
CS-0072
NSC-756653
SB19341
NCGC00025329-01
NCGC00025329-02
NCGC00381716-02
AC-35996
BS-16397
BS300122
DA-43383
FS102257
HY-11068
SMR004701671
SY246074
SB 293063
B5898
SB 239063?
SB 239063, >98% (HPLC)
SR-01000597519
SR-01000597519-1
BRD-K82091397-001-01-4
BRD-K82091397-001-03-0
BRD-K98143437-001-01-7
Q27162643
Q27163223
SB 239063 - CAS 798558-40-4
4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl)-imidazol-1-yl]-cyclohexanol
4-[4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1-imidazolyl]-1-cyclohexanol
trans -1-(4-hydroxycyclohexyl)-4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)imidazole
trans-1-(4-Hydroxycyclohexyl)-4-(4-fluorophenyl)-5-[(2-methoxy)primidin-4-yl]imidazole
trans-1-(4-Hydroxycyclohexyl)-4-(4-fluorophenyl)-5-[(2-methoxy)pyrimidin-4-yl]imidazole
trans-4-[4-(4-Fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1-imidazolyl]cyclohexanol
trans-4-[4-(4-fluorophenyl)-5-(2-methoxypyrimidin-4-yl)-1H-imidazol-1-yl]cyclohexan-1-ol
(1R,4R)-4-[4-(4-FLUOROPHENYL)-5-(2-METHOXYPYRIMIDIN-4-YL)IMIDAZOL-1-YL]CYCLOHEXAN-1-OL
SB0