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Mafodotin

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Identification
Molecular formula
C82H138N14O39S7
CAS number
123456-78-9
IUPAC name
[2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methylheptanoylamino)-4-(sulfomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfomethylamino)butanoyl]amino]-3,6,9,12,15,18,23-heptaoxo-5,8-disec-butyl-11,14-bis[2-(sulfomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonic acid
State
State

Mafodotin, as a chemical compound used in pharmaceuticals, is typically handled in its solid form, primarily in preparation for its use in drug conjugates.

Melting point (Celsius)
210.00
Melting point (Kelvin)
483.15
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.15
General information
Molecular weight
1945.20g/mol
Molar mass
1 945.2020g/mol
Density
1.2500g/cm3
Appearence

Mafodotin is typically found as a white to off-white powder. It is commonly used in a bound form as part of an antibody-drug conjugate, rather than as a standalone compound.

Comment on solubility

Solubility of 2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methylheptanoylamino)-4-(sulfomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfomethylamino)butanoyl]amino]-3,6,9,12,15,18,23-heptaoxo-5,8-disec-butyl-11,14-bis[2-(sulfomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonic acid

The solubility of the compound with the formula C82H138N14O39S7 can be described as follows:

  • Hydrophilicity: Given the presence of multiple amino and sulfonic acid groups, this compound is expected to exhibit a high degree of hydrophilicity. These functional groups facilitate interactions with water molecules, enhancing solubility.
  • Polarity: The highly polar nature of the functional groups likely contributes to its greater solubility in polar solvents such as water.
  • Chain Length and Branching: The substantial hydrophobic segments may limit solubility in nonpolar solvents, suggesting a preference for environments that can accommodate polar characteristics.
  • Concentration Dependence: The solubility may vary significantly depending on the concentration of the compound and the specific solvent conditions, indicating that experimental determination is essential.

In conclusion, while the 2-[17-(1-hydroxyethyl)...methanesulfonic acid compound demonstrates potential for solubility in aqueous solutions due to its functional groups, various factors—such as solvent composition, temperature, and concentration—must be considered to fully understand its solubility behavior.

Interesting facts

Interesting Facts About 2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methylheptanoylamino)-4-(sulfomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfomethylamino)butanoyl]amino]-3,6,9,12,15,18,23-heptaoxo-5,8-disec-butyl-11,14-bis[2-(sulfomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonic acid

This compound is an intriguing example of complex chemical architecture, showcasing the fascinating interplay between structure and function in medicinal chemistry. Here are some noteworthy points:

  • Complex Structure: The extensive, multi-branched structure features heptaoxo and heptazacyclo motifs, making it a prime illustration of intricate design in synthetic chemistry.
  • Potential Applications: The unique functional groups, particularly the presence of sulfomethylamino functionalities, suggest potential applications in biomedical fields, such as drug delivery systems and therapeutic agents.
  • Biological Relevance: Compounds of this nature often interact with biological systems in significant ways. Their structure can influence pharmacokinetics and bioactivity, a topic of profound interest in drug development.
  • Challenges in Synthesis: The complexity of the structure presents unique challenges in synthesis, often requiring advanced techniques in organic synthesis and a keen understanding of reaction pathways.
  • Field of Study: This compound exemplifies the convergence of organic chemistry, medicinal chemistry, and material science, allowing students and researchers to explore various interdisciplinary approaches.

As we delve deeper into the chemistry of such compounds, we uncover the rich tapestry of interactions and properties that govern their behavior in biological systems, making them significant in the quest for innovative therapies.

Overall, 2-[17-(1-hydroxyethyl)-22-[[2-[[3-hydroxy-2-[[2-(6-methylheptanoylamino)-4-(sulfomethylamino)butanoyl]amino]butanoyl]amino]-4-(sulfomethylamino)butanoyl]amino]-3,6,9,12,15,18,23-heptaoxo-5,8-disec-butyl-11,14-bis[2-(sulfomethylamino)ethyl]-1,4,7,10,13,16,19-heptazacyclotricos-2-yl]ethylamino]methanesulfonic acid is not just a chemical entity; it represents the endless possibilities and challenges that lie at the forefront of modern chemistry.

Synonyms
KBio1_000488
Spectrum_000844
Spectrum2_001075
Spectrum3_000363
Spectrum4_000299
Spectrum5_001588
BSPBio_002085
KBioGR_000858
KBioSS_001324
DivK1c_000488
SPBio_001090
KBio2_001324
KBio2_003892
KBio2_006460
KBio3_001305
NINDS_000488
IDI1_000488
BRD-A13668387-319-04-7