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Epothilone B

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Identification
Molecular formula
C42H69NO10
CAS number
152044-54-7
IUPAC name
[3-acetoxy-6-[formyl(methyl)amino]-1-[5-(16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-4-methoxy-3-methyl-pentyl]-2,4-dimethyl-hex-5-enyl] 2-methoxypropanoate
State
State

At room temperature, Epothilone B is typically a solid, appearing in powder form. It is stable and can maintain its form under standard conditions.

Melting point (Celsius)
237.50
Melting point (Kelvin)
510.65
Boiling point (Celsius)
310.00
Boiling point (Kelvin)
583.15
General information
Molecular weight
506.65g/mol
Molar mass
506.6540g/mol
Density
1.2400g/cm3
Appearence

Epothilone B is a pale yellow to off-white solid that is usually available in powder form. It is known for its translucence and can appear amorphous when in small quantities.

Comment on solubility

Solubility of 3-acetoxy-6-[formyl(methyl)amino]-1-[5-(16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-4-methoxy-3-methyl-pentyl]-2,4-dimethyl-hex-5-enyl] 2-methoxypropanoate (C42H69NO10)

The solubility of the compound 3-acetoxy-6-[formyl(methyl)amino]-1-[5-(16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-4-methoxy-3-methyl-pentyl]-2,4-dimethyl-hex-5-enyl] 2-methoxypropanoate can be characterized as follows:

  • Hydrophobic Character: Given its complex structure and numerous carbon chains, this compound is expected to exhibit significant hydrophobic properties, potentially limiting its solubility in water.
  • Polar Functional Groups: The presence of polar functional groups, such as the acetoxy and methoxy moieties, may enhance solubility in polar organic solvents.
  • Solvent Specificity: Solubility may vary significantly depending on the solvent used. It is likely to be more soluble in solvents like ethanol or dimethyl sulfoxide (DMSO) compared to water.
  • Temperature Dependence: Like many organic compounds, the solubility can also depend on temperature; higher temperatures may improve solubility in certain solvents.

In conclusion, while the solubility of this compound in water appears limited due to its hydrophobic nature, it may exhibit favorable solubility in various organic solvents. Overall, the complex interplay of hydrophobic and polar characteristics defines its solubility behavior.

Interesting facts

Interesting Facts about 3-acetoxy-6-[formyl(methyl)amino]-1-[5-(16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-4-methoxy-3-methyl-pentyl]-2,4-dimethyl-hex-5-enyl] 2-methoxypropanoate

This fascinating compound is a notable member of the extensive class of chemical compounds known for their complex structures and diverse functionalities. Here’s why it's particularly intriguing:

  • Structural Complexity: The compound exhibits an intricate framework featuring multiple functional groups and a tetracyclic structure, which contributes to its unique properties and potential applications.
  • Natural Derivative: Many compounds similar to this one are derived from natural products. Its numerous functional groups suggest possible bioactivity, indicating potential for use in pharmaceuticals or agriculture.
  • Applications: The presence of acetoxy, methoxy, and formyl functional groups hints at possible uses in organic synthesis and as intermediates in the production of other complex molecules.
  • Research Interest: The study of similar compounds has garnered attention in medicinal chemistry for their potential anti-cancer and anti-inflammatory properties.
  • Stability and Reactivity: Compounds of this type often display unique reactivity patterns, making them valuable for various synthetic pathways and research endeavors.

Overall, 3-acetoxy-6-[formyl(methyl)amino]-1-[5-(16-hydroxy-10,22-dimethoxy-11,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.12,5.16,9]hentriaconta-1(28),2(31),4,6(30),8,13,24,26(29)-octaen-20-yl)-4-methoxy-3-methyl-pentyl]-2,4-dimethyl-hex-5-enyl] 2-methoxypropanoate represents a powerful example of the complexity and diversity found in chemical compounds. Its potential applications and intriguing structural features make it a subject of interest for ongoing research and study.