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Epothilone D

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Identification
Molecular formula
C33H41NO6
CAS number
189453-10-9
IUPAC name
17-ethyl-1,14,20-trihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
State
State
At room temperature, Epothilone D is solid, existing in a stable crystalline form. It is not volatile and remains stable under normal environmental conditions.
Melting point (Celsius)
223.00
Melting point (Kelvin)
496.15
Boiling point (Celsius)
168.00
Boiling point (Kelvin)
441.15
General information
Molecular weight
821.02g/mol
Molar mass
821.0180g/mol
Density
1.2800g/cm3
Appearence

Epothilone D is characterized by its crystalline solid form. It is typically seen as a white to off-white powder. Its crystallinity is due to the precise spatial arrangement of its molecules, which is essential for its stability and bioactivity.

Comment on solubility

Solubility of 17-ethyl-1,14,20-trihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone (C33H41NO6)

The solubility of this compound, known for its complex molecular structure, can be influenced by several factors. While specific solubility data may be scarce, we can explore general characteristics that govern its behavior in various solvents:

  • Polarity: The presence of hydroxyl groups contributes to hydrophilicity, which may enhance solubility in polar solvents such as water or alcohol.
  • Hydrophobic regions: The multiple methoxy and alkyl substituents suggest that the compound may also exhibit hydrophobic characteristics, leading to increased solubility in organic solvents like chloroform or dichloromethane.
  • Temperature Effects: Solubility can often increase with temperature; hence, heating the solvent might help dissolve the compound more effectively.
  • pH Dependency: Given the presence of hydroxy groups, solubility may vary significantly with changes in pH, particularly in aqueous solutions.

As stated, "the solubility of a compound is often a balance between its polar and non-polar components," and this complex molecule appears to be no exception. Understanding its solubility profile is critical for applications in pharmaceuticals and materials sciences, where effective dissolution can determine efficacy and usability.

Interesting facts

Interesting Facts about 17-ethyl-1,14,20-trihydroxy-12-[2-(4-hydroxy-3-methoxy-cyclohexyl)-1-methyl-vinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone

This compound, despite its complex name and structure, plays an important role in the field of organic and medicinal chemistry. Here are some captivating aspects:

  • Synthetic Potential: The intricate architecture allows for the exploration of various synthetic pathways, making it an interesting target for chemists aiming to develop novel therapeutic agents.
  • Bioactivity: Compounds with similar structures often exhibit significant biological activity. Investigations into this compound could reveal potential uses in pharmaceuticals, particularly in targeting diseases.
  • Molecular Diversity: Featuring a variety of functional groups, such as hydroxy, methoxy, and azetidine, this compound highlights the vast diversity in organic chemistry. Each functional group can influence the characteristics and interactions of the molecule.
  • Research Applications: Exploring such complex molecules can lead to breakthroughs in medicinal chemistry, particularly in the development of drugs that can effectively target specific biological pathways.
  • Environmental Impact: As research progresses, understanding the environmental impact of the synthesis and degradation of such compounds becomes paramount, emphasizing the importance of sustainable chemistry practices.

In summary, this compound represents not just a single chemical entity but a gateway to new discoveries in chemistry and potential therapeutic avenues. As scientists continue to unravel its properties, it may serve as a crucial player in the ever-evolving landscape of medicinal research.

Synonyms
L-685,818
NOQNPBXNHMZMTC-UHFFFAOYSA-N
17-Ethyl-1,14,20-trihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy -13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo -[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14,20-trihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy -13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo-[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone
17-ethyl-1,14,20-trihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos -18-ene-2,3,10,16-tetraone
17-Ethyl-1,14,20-trihydroxy-12-[2'-(4"-hydroxy-3"-methoxycyclohexyl)-1'-methylvinyl]-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9 ]octacos-18-ene-2,3,10,16-tetraone