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Peficitinib

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Identification
Molecular formula
C20H19F2N5O4
CAS number
944118-01-8
IUPAC name
2-[[2-(5-carbamimidoyl-2-hydroxy-phenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]-methyl-amino]acetic acid
State
State

Peficitinib is typically present as a solid at room temperature.

Melting point (Celsius)
0.00
Melting point (Kelvin)
0.00
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
471.43g/mol
Molar mass
471.4300g/mol
Density
0.0000g/cm3
Appearence

Peficitinib typically appears as a white to off-white crystalline powder.

Comment on solubility

Solubility of 2-[[2-(5-carbamimidoyl-2-hydroxy-phenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]-methyl-amino]acetic acid

The solubility of the compound C20H19F2N5O4 is an essential characteristic that influences its potential applications and biological activity. In general, the solubility of a compound can be influenced by several factors, including:

  • Molecular Structure: The presence of functional groups can greatly affect solubility. In this compound, the multiple polar functional groups are likely to improve its interaction with solvents.
  • Polarity: The distribution of fluorine atoms and nitrogen can contribute to the compound's overall polarity, which typically increases solubility in polar solvents such as water.
  • pH Dependency: Given that this compound contains acidic and basic groups, its solubility may vary with pH, allowing for increased solubility in acidic or basic environments.

Though the precise solubility of this compound can depend on experimental conditions, it may exhibit characteristics akin to other complex organic compounds. As stated, "The solubility behavior of organic compounds is a key factor in their bioavailability and efficacy." Depending on these factors, one might expect moderate solubility in aqueous solutions, but further experimental validation is necessary to determine specific solubility metrics.


Interesting facts

Interesting Facts about 2-[[2-(5-carbamimidoyl-2-hydroxy-phenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]-methyl-amino]acetic acid

This compound, often referred to in scientific literature as a complex small molecule, showcases a fascinating blend of chemical functionalities that make it a subject of interest in medicinal chemistry. The intricate structure is significant in its potential therapeutic applications, particularly in the fields of oncology and neurology. Here are some key points about this compound:

  • Structural Diversity: Its structure includes several distinct functional groups such as phenoxy, pyridyl, and imidazolyl, contributing to a multifunctional profile that may enhance interaction with various biological targets.
  • Fluorine Substitution: The presence of fluorine atoms in its structure not only influences the compound’s reactivity but also enhances lipid solubility, often leading to improved bioavailability.
  • Bioactivity: Research suggests that compounds like this one may exhibit *antiproliferative* effects, making them valuable in the development of anti-cancer therapies.
  • Potential Applications: Beyond oncology, this compound may also play a role in treating neurodegenerative diseases due to its ability to cross the blood-brain barrier with the help of its imidazole component.

Moreover, the compound's unique features make it a fascinating topic for further research. As stated by prominent chemists, "The exploration of multi-functional small molecules represents the frontier of pharmaceutical innovation." Keeping an eye on compounds like this could lead to groundbreaking discoveries in the field of drug development.

In conclusion, 2-[[2-(5-carbamimidoyl-2-hydroxy-phenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridyl]-methyl-amino]acetic acid stands as a testament to the complexity and potential that small molecular compounds hold in the realm of science.

Synonyms
Fidexaban
183305-24-0
CI-1031
ZK-807834
ZK 807834
CHEMBL73193
N-[2-[5-(aminoiminomethyl)-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]-3,5-difluoro-4-pyridinyl]-N-methylglycine
10NHF3008V
Glycine, N-(2-(5-(aminoiminomethyl)-2-hydroxyphenoxy)-6-(3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy)-3,5-difluoro-4-pyridinyl)-N-methyl-
ZK807834
ZK-807191
2-[[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridin-4-yl]-methylamino]acetic acid
n-[2-[5-[amino(imino)methyl]-2-hydroxyphenoxy]-3,5-difluoro-6-[3-(4,5-dihydro-1-methyl-1h-imidazol-2-yl)phenoxy]pyridin-4-yl]-n-methylglycine
Fidexaban [USAN]
Fidexaban [USAN:INN]
UNII-10NHF3008V
1fjs
((2-(5-Carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-(3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy)pyridin-4-yl)methylamino)acetic acid
[[2-(5-Carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]methylamino]acetic acid
N-(2-(5-(amino(imino)methyl)-2-hydroxyphenoxy)-3,5-difluoro-6-(3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy)pyridin-4-yl)-N-methylglycine
N-(2-(5-Carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-(3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy)pyridin-4-yl)-N-methylglycine
N-{2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridin-4-yl}-N-methylglycine
FIDEXABAN [INN]
Fidexaban (USAN/INN)
SCHEMBL4354301
BDBM17284
AKOS040748351
HY-10724
TS-08520
BX-807834
PD-200022
D04183
Q27251148
2-{[2-(5-carbamimidoyl-2-hydroxyphenoxy)-3,5-difluoro-6-[3-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridin-4-yl](methyl)amino}acetic acid