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Afatinib

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Identification
Molecular formula
C24H25BrN5O
CAS number
850140-72-6
IUPAC name
N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide
State
State

At room temperature, afatinib is in a solid state. It is typically handled as a powder or tablet in pharmaceutical applications.

Melting point (Celsius)
199.50
Melting point (Kelvin)
472.65
Boiling point (Celsius)
875.60
Boiling point (Kelvin)
1 148.75
General information
Molecular weight
485.94g/mol
Molar mass
485.9400g/mol
Density
1.4232g/cm3
Appearence

Afatinib is generally available as a white to yellowish solid powder. It can often appear as an off-white crystalline substance. The exact shade might vary slightly depending on specific formulations or synthesis processes.

Comment on solubility

Solubility of N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide (C24H25BrN5O)

N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide, a compound with a complex molecular structure, exhibits notable characteristics when it comes to solubility. Due to the presence of both organic and halogen elements within its structure, its solubility profile can be influenced by various factors. Here are some key points to consider:

  • Polar vs. Nonpolar Nature: The combination of the bromo substituent and the quinazoline moiety affects the overall polarity of the compound, making it moderately soluble in polar solvents like water and highly polar organic solvents.
  • Solvent Interaction: It is important to note that the solubility may increase in solvents that can interact favorably with bromine and nitrogen atoms, such as dimethyl sulfoxide (DMSO) or dimethylformamide (DMF).
  • Hydrogen Bonding: The potential for hydrogen bonding, given the presence of nitrogen atoms, can enhance solubility in alcohols like ethanol, as they can stabilize the solute-solvent interaction.
  • Temperature Dependency: The solubility of this compound is likely to increase with temperature, which is a common behavior for organic compounds, allowing for better dissolution and interaction with solvents at elevated temperatures.

In conclusion, while N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide demonstrates a propensity for solubility in various solvents, the precise solubility must be evaluated experimentally to understand the influence of solvent characteristics and temperature variations on its behavior.

Interesting facts

Interesting Facts about N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide

N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide is a fascinating compound that belongs to the class of quinazolines, which are notable for their versatile applications in various fields, especially medicinal chemistry. Below are some intriguing aspects of this compound:

  • Biological Activity: Compounds containing quinazoline derivatives are often studied for their potential antitumor and antimicrobial properties. N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide could serve as a foundation for synthesizing novel pharmaceuticals.
  • Structure-Activity Relationship: The incorporation of specific functional groups, such as the bromine atom and the ynamide group, can significantly influence a compound's biological activity and chemical reactivity, making this compound a suitable candidate for pharmacological studies.
  • Synthetic Pathways: The synthesis of this compound might involve various key steps, including functionalization and coupling reactions, highlighting the importance of advanced synthetic techniques in the development of complex organic molecules.
  • Interdisciplinary Research: The study of this compound showcases the intersection between organic chemistry, medicinal chemistry, and biochemistry, emphasizing the collaborative efforts required to advance the field of drug discovery.

As a chemist, one can appreciate the myriad of possibilities that such compounds hold. It is essential to delve deeper into their properties and applications, driving innovations that could lead to the next breakthrough in pharmaceuticals.

Synonyms
cl-387785
194423-06-8
EKI-785
N-(4-((3-bromophenyl)amino)quinazolin-6-yl)but-2-ynamide
CL-387,785
CL-387785 (EKI-785)
N-[4-[(3-Bromophenyl)amino]-6-quinazolinyl]-2-butynamide
EKB-785
WAY-EKI-785
CL 387785
N-[4-(3-bromoanilino)quinazolin-6-yl]but-2-ynamide
EKI 785
2-Butynamide, N-[4-[(3-bromophenyl)amino]-6-quinazolinyl]-
CL-387785(EKI785; WAY-EKI 785)
CHEMBL91867
B4W27J1Z8B
2-Butynamide, N-(4-((3-bromophenyl)amino)-6-quinazolinyl)-
CHEBI:90180
N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide
N-(4-((3-bromophenyl)amino)-6-quinazolinyl)-2-butynamide
N-[4-[(3-bromophenyl)amino]-6-quinazolinyl)-2-butynamide
N-[4-[(3-Bromophenyl)amino]quinazolin-6-yl]but-2-ynamide
N-{4-[(3-bromophenyl)amino]-6-quinazolinyl}-2-butynamide
UNII-B4W27J1Z8B
4-anilinoquinazoline deriv. 1
EKB 785; EKI 785; WAY-EKI 785; N-(4-((3-Bromophenyl)amino)quinazolin-6-yl)but-2-ynamide
MFCD02179194
SCHEMBL412104
BDBM4566
EX-A578
BTYYWOYVBXILOJ-UHFFFAOYSA-N
DTXSID401236539
BCP10214
HSCI1_000126
s7557
AKOS026674120
CCG-268418
CS-3291
FC29856
SB19359
NCGC00386435-04
NCGC00481562-01
AC-33038
AS-16651
CL-38875
HY-10325
C3575
CL-387785?
BRD-K65674950-001-01-7
Q27162381
CL-387,785 - CAS 194423-06-8
N-{4-[(m-bromophenyl)amino]-6-quinazolinyl}-2-butynamide
N-{4-[(m-bromophenyl)amino]quinazolin-6-yl}but-2-ynamide
253310-44-0