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Simvastatin

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Identification
Molecular formula
C25H38O5
CAS number
79902-63-9
IUPAC name
1-[[4-(dimethylamino)-3-methyl-phenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
State
State

At room temperature, simvastatin is a solid compound. It is stable under ordinary conditions but should be protected from light and moisture to maintain its efficacy.

Melting point (Celsius)
139.00
Melting point (Kelvin)
412.15
Boiling point (Celsius)
780.00
Boiling point (Kelvin)
1 053.15
General information
Molecular weight
418.57g/mol
Molar mass
418.5710g/mol
Density
1.0423g/cm3
Appearence

Simvastatin typically appears as a white to off-white, crystalline powder. It is not very soluble in water but dissolves in methanol, ethanol, and other organic solvents.

Comment on solubility

Solubility of 1-[[4-(dimethylamino)-3-methyl-phenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid

The solubility of 1-[[4-(dimethylamino)-3-methyl-phenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid (C25H38O5) can be influenced by several factors. This compound contains both hydrophobic and hydrophilic regions which affect its interaction with solvents.

Solubility Characteristics:

  • Polar Solvents: It may display limited solubility in polar solvents due to its complex structure and the presence of hydrophobic moieties.
  • Non-Polar Solvents: Conversely, the hydrophobic sections of the molecule can facilitate solubility in non-polar organic solvents.
  • pH Sensitivity: As a carboxylic acid, its solubility can be significantly affected by the pH of the solution. In more alkaline conditions, the compound may ionize, enhancing solubility.

Therefore, the solubility of this imidazo-pyridine derivative is not straightforward and requires careful consideration of the solvent environment. To quote a famous chemist, "The solution often lies in the balance of competing interactions." When handling this compound, it’s essential to assess its solubility based on the specific application and the solvent choice intended for use.

Interesting facts

Interesting Facts About 1-[[4-(Dimethylamino)-3-methyl-phenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic Acid

This fascinating compound is part of the imidazopyridine family and has garnered attention due to its potential pharmacological applications. Its intricate structure combines elements that contribute to its versatility and efficacy.

Key Features

  • Pharmacological Potential: Compounds resembling this structure are often studied for their biological activities, especially in the realm of antipsychotic and anti-inflammatory drugs.
  • Complexity of Design: The presence of multiple functional groups, such as the dimethylamino and diphenylacetyl moieties, enhances its ability to interact with various biological targets.
  • Imidazo[4,5-c]pyridine Framework: This heterocyclic structure is known for its unique electronic properties, which can be fine-tuned for specific applications.
  • Research Interest: Scientists are actively investigating the mechanisms of action for compounds like this one, aiming to understand their interactions on a molecular level.

Chemical Significance

In the world of organic chemistry, derivatives and analogs of known substances often lead to groundbreaking discoveries. Compounds like 1-[[4-(dimethylamino)-3-methyl-phenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid may serve as crucial intermediates in the synthesis of more complex molecules.

As stated by renowned chemists, "Understanding the structure-activity relationship (SAR) of such compounds paves the way for novel therapeutic agents." The inherent complexity invites deeper exploration, and chemists are continually excited about the possibilities that compounds of this nature present.

In summary, the intricate design and potential pharmacological importance of this compound make it a noteworthy subject of study in both academic and pharmaceutical research settings.

Synonyms
1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
PD-123319 ditrifluoroacetate
(S)-(+)-PD 123319
1-[[4-(Dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
114785-14-7
EMA200
1-((4-(Dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine-6-carboxylic acid
1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(diphenylacetyl)-4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine-6-carboxylic acid
C2PJT3V6N6
PD-123319 free base?
SCHEMBL668526
CHEBI:91799
DTXSID901024634
HMS3653O03
AKOS032947247
SB16509
NCGC00389790-01
1H-Imidazo(4,5-c)pyridine-6-carboxylic acid, 1-((4-(dimethylamino)-3-methylphenyl)methyl)-5-(diphenylacetyl)-4,5,6,7-tetrahydro-, (S)-
L000468
BRD-A63836183-362-01-1
PD-123319, (+/-)-
Q27163600
1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(1-oxo-2,2-diphenylethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylic acid
1-{[4-(DIMETHYLAMINO)-3-METHYLPHENYL]METHYL}-5-(2,2-DIPHENYLACETYL)-4H,6H,7H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLIC ACID
1H-Imidazo[4,5-c]pyridine-6-carboxylic acid, 1-[[4-(dimethylamino)-3-methylphenyl]methyl]-5-(2,2-diphenylacetyl)-4,5,6,7-tetrahydro-