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Nifedipine

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Identification
Molecular formula
C17H18N2O6
CAS number
21829-25-4
IUPAC name
O3-methyl O5-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
State
State

At room temperature, nifedipine is in a solid state, specifically a crystalline powder. Its stability is compromised by exposure to light, which can lead to a change in its appearance and a reduction in efficacy.

Melting point (Celsius)
172.00
Melting point (Kelvin)
445.15
Boiling point (Celsius)
-20.00
Boiling point (Kelvin)
253.15
General information
Molecular weight
346.33g/mol
Molar mass
346.3350g/mol
Density
1.2960g/cm3
Appearence

Nifedipine appears as a yellow crystalline powder. It is practically insoluble in water but soluble in acetone, ethanol, and other organic solvents. Nifedipine is sensitive to light and may degrade when exposed to it, becoming darker in color.

Comment on solubility

Solubility of O3-methyl O5-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate (C17H18N2O6)

The solubility of O3-methyl O5-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate is influenced by several factors such as its structural characteristics, polarity, and interactions with solvents.

Key Points on Solubility:

  • Polar vs Non-Polar: This compound contains polar functional groups like carboxylate, which may enhance its solubility in polar solvents such as water and alcohols.
  • Hydrophobic Regions: The presence of phenyl groups contributes to the hydrophobic nature of the compound, which could limit its solubility in highly polar solvents.
  • Solvent Compatibility: It is likely more soluble in organic solvents such as chloroform and methanol compared to aqueous solutions due to its mixed polarity.

Testing the solubility in various solvents could provide valuable insights. In practical applications, substances with structural similarities often exhibit solubility behaviors that can be predicted via structure-activity relationships.

Overall, while the specific solubility data for this compound might not be readily available, understanding these key solubility principles can aid in making educated predictions about its behavior in solution.

Interesting facts

Interesting Facts about O3-methyl O5-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate

This fascinating compound belongs to the class of dihydropyridines, which are significant in medicinal chemistry due to their broad range of biological activities. Here are some intriguing points about this compound:

  • Biological Activity: Dihydropyridine derivatives are widely known for their role as calcium channel blockers. This class of compounds plays a crucial role in treating various cardiovascular conditions, such as hypertension and angina.
  • Synthetic Importance: The unique structure of this compound, with multiple functional groups, makes it an intriguing target for synthetic chemistry. Researchers are drawn to its potential in developing new pharmaceuticals.
  • Versatile Reactions: The presence of ester groups provides reactive sites that can be modified via nucleophilic substitution, making this compound a valuable intermediate in organic synthesis.
  • Research Potential: Various studies indicate that modifying the substituents on the dihydropyridine ring can lead to compounds with enhanced potency and selectivity, stimulating ongoing research in the field.

As noted by scientists, "the potential for derivatives of dihydropyridine to exhibit diverse pharmacological profiles is both challenging and exciting." The exploration of this compound may lead to innovations in drug design and development, providing benefits in therapeutic applications.

Moreover, the complex nature of this compound makes it a fascinating subject for students and researchers alike, inspiring further exploration into its properties and applications in chemistry and medicine.

Synonyms
Pca 4248
PTEMC
123875-01-4
Pca-4248
methyl 2-(phenylsulfanyl)ethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PCA4248
3-O-methyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PCA-4248;PCA 4248
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, 3-methyl 5-[2-(phenylthio)ethyl] ester
2-(Phenylthio)ethyl-5-methoxycarbonyl-2,4,6-trimethyl-1,4-dihydropyridine-3-carboxylate
BSPBio_000994
KBioGR_000334
KBioSS_000334
3-(2-(Phenylthio)ethyl)-5-methoxycarbonyl-4-methyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
GTPL6080
CHEMBL1395565
SCHEMBL10587428
CHEBI:91615
KBio2_000334
KBio2_002902
KBio2_005470
KBio3_000667
KBio3_000668
DTXSID60924617
DHCNAWNKZMNTIS-UHFFFAOYSA-N
Bio1_000465
Bio1_000954
Bio1_001443
Bio2_000337
Bio2_000817
HMS1362B15
HMS1792B15
HMS1990B15
HMS3266M12
HMS3403B15
HMS3411G04
HMS3428G07
HMS3675G04
STK368865
AKOS001610477
AKOS022067894
IDI1_002092
NCGC00024658-02
NCGC00024658-03
NCGC00024658-04
SR-01000597713
SR-01000597713-1
BRD-A29289453-001-02-1
BRD-A29289453-001-03-9
BRD-A29289453-001-04-7
Q27088253
2-phenylsulfanylethyl methyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-d icarboxylate
3-Methyl 5-(2-(phenylthio)ethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
O5-methyl O3-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, methyl 2-(phenylthio)ethyl ester
3-Methyl 5-[2-(phenylsulfanyl)ethyl] 2,4,6-trimethyl-1,4-dihydro-3,5-pyridinedicarboxylate #
Pyridine-3, 5-dicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, methyl 2-phenylthioethyl ester