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Montelukast

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Identification
Molecular formula
C35H36ClNO3S
CAS number
158966-92-8
IUPAC name
4-[1-[(dimethylamino)methyl]-2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethoxy]-4-oxo-butanoic acid
State
State

At room temperature, Montelukast is in a solid state, generally distributed as tablets or granules.

Melting point (Celsius)
119.40
Melting point (Kelvin)
392.60
Boiling point (Celsius)
512.30
Boiling point (Kelvin)
785.50
General information
Molecular weight
586.18g/mol
Molar mass
586.1790g/mol
Density
1.2000g/cm3
Appearence

Montelukast is typically encountered as a white to off-white powder. It is slightly soluble in ethanol and practically insoluble in water.

Comment on solubility

Solubility of 4-[1-[(dimethylamino)methyl]-2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethoxy]-4-oxo-butanoic acid

This compound, with the chemical formula C35H36ClNO3S, presents a range of solubility characteristics that can be quite intriguing. Solubility is influenced by several factors including polarity, molecular weight, and functional groups present in the structure. In the case of this particular compound, a few points are worth noting:

  • Polar Functional Groups: The presence of functional groups such as the carboxylic acid (-COOH) enhances the overall solubility in polar solvents, especially water.
  • Hydrophobic Character: The long hydrocarbon chains and aromatic rings within the structure suggest a hydrophobic nature, which may limit solubility in aqueous environments while allowing for better solubility in organic solvents.
  • Dimethylamino Group: The dimethylamino groups can further interact with solvents, possibly increasing solubility in some conditions due to their potential basicity.

When it comes to practical applications, it is essential to consider that:

  • The solubility may vary significantly with the pH of the solution due to the ionization of the carboxylic acid.
  • Temperature can also play a critical role, often increasing solubility as thermal energy allows interactions to break apart.

Overall, researchers and chemists must conduct thorough solubility testing under different conditions to ascertain practical behavior in various environments. As the saying goes, "Solubility is key to reaction; be mindful of the solution!"

Interesting facts

Interesting Facts About 4-[1-[(Dimethylamino)methyl]-2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethoxy]-4-oxo-butanoic Acid

This intriguing compound is of significant interest in the field of medicinal chemistry and drug development. Here are some captivating aspects worth noting:

  • Pharmacological Potential: Compounds that feature a dimethylamino group often exhibit interesting biological activities. They have been studied for their role as potential pharmacological agents, contributing to the development of novel therapies.
  • Complex Structure: The compound contains a complex arrangement of functional groups, including an ester, an oxo group, and a phenoxy moiety. This complexity may influence its reactivity and interaction with biological targets.
  • Structure-Activity Relationship (SAR): Understanding how modifications in the structure of compounds, such as this one, correlate with their biological activities is crucial. This compound’s structure allows for detailed SAR studies which can lead to the design of more effective drugs.
  • Potential Applications: With its unique configuration, this compound may be further evaluated for applications in various pharmacological fields, including oncology, neurology, and possible anti-inflammatory treatments.

In Summary:

This compound exemplifies how complexity in chemical structure can lead to significant pharmacological potential. As stated by a well-known chemist, “The beauty of chemistry lies not just in what we see, but in what we can create.” With ongoing research, compounds like this one pave the way for innovative solutions in medicine.

Synonyms
Sarpogrelate
125926-17-2
Sarpogrelate [INN]
Sarpogrelate (INN)
sarpogrelato
4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
UNII-19P708E787
SARPOGRELATE [WHO-DD]
19P708E787
DTXSID7048328
LS-187,118
4-{[1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-yl]oxy}-4-oxobutanoic acid
CHEMBL541829
4-[1-dimethylamino-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
4-(1-(2-(3-METHOXYPHENETHYL)PHENOXY)-3-(DIMETHYLAMINO)PROPAN-2-YLOXY)-4-OXOBUTANOIC ACID SARPOGRELATE
BUTANEDIOIC ACID, MONO(2-(DIMETHYLAMINO)-1-((2-(2-(3-METHOXYPHENYL)ETHYL)PHENOXY)METHYL)ETHYL) ESTER
NCGC00167489-01
NCGC00167489-03
BUTANEDIOIC ACID, 1-(2-(DIMETHYLAMINO)-1-((2-(2-(3-METHOXYPHENYL)ETHYL)PHENOXY)METHYL)ETHYL) ESTER
sarpogrelatum
4-((1-(dimethylamino)-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)propan-2-yl)oxy)-4-oxobutanoic acid
4-(1-dimethylamino-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)propan-2-yl)oxy-4-oxobutanoic acid
SCHEMBL49197
GTPL210
CHEMBL52939
DTXCID2028303
CHEBI:135697
BCP08179
BDBM50093789
STK631325
AKOS005563803
DB12163
2-(dimethylamino)-1-((2-(3-methoxyphenyl)phenoxy)methyl)ethyl hydrogensuccinate hydrochloride
NCGC00167489-02
DA-67415
HY-10563
mono-(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl)succinate hydrochloride
CS-0002654
D08508
Q44931
SBI-0653865.0001
L000858
SR-01000883998
SR-01000883998-1
BRD-A34358106-003-01-6
(+-)-2-(Dimethylamino)-1-((o-(m-methoxyphenethyl)phenoxy)methyl)ethyl hydrogen succinate
(- )-2-(Dimethylamino)-1-((o-(m-methoxyphenethyl)phenoxy)methyl)ethyl hydrogen succinate.
4-(1-(dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yloxy)-4-oxobutanoic acid
Succinic acid mono-(2-dimethylamino-1-{2-[2-(3-methoxy-phenyl)-ethyl]-phenoxymethyl}-ethyl) ester; hydrochloride