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Erlotinib

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Identification
Molecular formula
C22H23N3O4
CAS number
183321-74-6
IUPAC name
methyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
State
State

At room temperature, erlotinib exists as a solid. It is marketed typically in tablet form for ease of ingestion in pharmaceutical applications.

Melting point (Celsius)
223.00
Melting point (Kelvin)
496.15
Boiling point (Celsius)
650.00
Boiling point (Kelvin)
923.15
General information
Molecular weight
393.44g/mol
Molar mass
393.4420g/mol
Density
1.2000g/cm3
Appearence

Erlotinib is typically presented as a white to off-white crystalline powder. It is insoluble in water but soluble in a variety of organic solvents.

Comment on solubility

Solubility of Methyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate

The solubility of methyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate (C22H23N3O4) can be influenced by various factors such as temperature, pH, and the presence of other ions in solution. This compound, with its complex structure, raises interesting considerations regarding its solubility:

  • Polarity: The presence of functional groups such as hydroxyl (-OH) and carboxylate (-COO-) typically increases solubility in polar solvents, particularly water.
  • Hydrophilic and Hydrophobic Balance: The considerable size and potential hydrophobic portions of the molecule might limit its overall solubility, suggesting a balance between hydrophilic and hydrophobic characteristics.
  • Solvent Choice: It is likely that organic solvents such as ethanol or dimethyl sulfoxide (DMSO) might exhibit better solubility profiles for this compound compared to water.
  • Thermodynamic Factors: The solubility might also be temperature-dependent, where increased temperature could enhance solubility due to increased molecular motion.

In conclusion, understanding the solubility of such a compound is crucial for practical applications, whether in pharmaceuticals or materials science, and merits further investigation to optimize conditions for solubility in specific solvents.

Interesting facts

Interesting Facts about Methyl 16-Hydroxy-15-Methyl-3-Oxo-28-Oxa-4,14,19-Triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-Nonaene-16-Carboxylate

The compound known as Methyl 16-Hydroxy-15-Methyl-3-Oxo-28-Oxa-4,14,19-Triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-Nonaene-16-Carboxylate showcases the fascinating complexity of chemical structures. Here are some intriguing aspects of this compound:

  • Unique Structure: This compound exhibits an intricate multi-cyclo structure, which is a testament to the diversity and creativity of organic chemistry.
  • Biological Significance: Compounds with similar structural motifs often play crucial roles in biological pathways, including potential pharmaceutical applications.
  • Research Potential: The triaza and oxa functional groups suggest properties that may be valuable for drug discovery and development, potentially leading to new therapeutic agents.
  • Synthesis Challenges: The synthesis of such complex molecules often involves multiple steps and can be a feat of ingenuity and precision in a laboratory setting.
  • Applications: Beyond medicinal chemistry, compounds like this are studied for their possible use in materials science, catalysis, and as functional materials.

As noted by renowned chemist "Chemistry is the art of persuasion; it transforms the ordinary into the extraordinary." This compound exemplifies that philosophy by showcasing how intricate molecular designs can manifest significant chemical properties and potential uses.

In summary, Methyl 16-Hydroxy-15-Methyl-3-Oxo-28-Oxa-4,14,19-Triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-Nonaene-16-Carboxylate stands as a striking reminder of the endless possibilities within chemical research, inspiring future explorations in both theoretical and applied chemistry.

Synonyms
97161-97-2
k-252a
K252a
K-252a; SF 2370
methyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate
methyl 6-hydroxy-5-methyl-13-oxo-5,6,7,8,14,15-hexahydro-13h-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-6-carboxylate
SCHEMBL1982253
CHEMBL1591330
INK-3026-PI
DTXSID00869290
BCP16286
BCP16888
BS-1281
NCGC00162459-01
NS00122926
K 252A;K252A;SF2370;SF 2370;SF-2370
K 252A; K252A; SF-2370; SF 2370; SF2370;Antibiotic K 252A