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Bleomycin A2

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Identification
Molecular formula
C55H84N18O21S3
CAS number
9041-93-4
IUPAC name
14-(hydroxymethyl)-3-[3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione
State
State
At room temperature, bleomycin A2 is typically supplied as a lyophilized powder, which is a solid form.
Melting point (Celsius)
207.00
Melting point (Kelvin)
480.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
1415.55g/mol
Molar mass
1 415.5530g/mol
Density
1.3000g/cm3
Appearence
Bleomycin A2 typically appears as a powder. It is a white to off-white crystalline solid.
Comment on solubility

Solubility of 14-(hydroxymethyl)-3-[3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione (C55H84N18O21S3)

The solubility of this complex compound is quite intriguing due to its multifaceted structure and composition. Given its large molecular size and the presence of various functional groups, the solubility characteristics can be described as follows:

  • Polar vs Nonpolar: The compound exhibits a blend of polar and nonpolar regions, which can affect its interaction with aqueous solutions. This dual nature typically results in limited solubility in water.
  • Solvent Compatibility: It is likely to be more soluble in organic solvents, particularly those that can interact favorably with its hydrophobic segments, such as dimethyl sulfoxide (DMSO) or acetone.
  • Temperature Influence: It is essential to consider that solubility can change with temperature. Increased temperatures may enhance solubility in organic solvents, while cold conditions could crystallize the compound.
  • Practical Implications: The limited water solubility poses challenges for formulation in pharmaceutical applications. This could necessitate the use of surfactants or co-solvents to achieve the desired solubility for biological activity.

In conclusion, while this compound may present challenges in achieving high solubility in aqueous environments, understanding its properties can lead to innovative approaches in enhancing its availability and applications.

Interesting facts

14-(Hydroxymethyl)-3-[3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione

This compound represents a fascinating intersection of organic synthesis, medicinal chemistry, and structural complexity. Here are some key points to highlight:

  • Complexity Galore: With its intricate structure, 14-(hydroxymethyl)-3-[3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione is a vivid example of how natural product chemistry can lead to the development of compounds with significant pharmaceutical potential.
  • Potential Applications: Compounds with such a diverse array of functional groups may be studied for their applications in drug development, particularly as they can potentially interact with biological targets at multiple sites, leading to enhanced efficacy.
  • Diversity in Structure: The presence of various heteroatoms like sulfur and nitrogen contribute to its unique reactivity and biological properties, making it an exciting candidate for further research in fields such as medicinal and agricultural chemistry.
  • Inspiring Synthesis: The synthetic route to construct such a compound can teach valuable lessons about reaction mechanisms. It combines techniques from multiple branches of organic synthesis and showcases the creativity required to design new molecules.

In conclusion, 14-(hydroxymethyl)-3-[3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl]indol-1-yl]-18-methyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione not only showcases the beauty of intricate molecular architecture but also opens doors to numerous future studies that may unlock its secrets and applications in the scientific arena.

Synonyms
Chetomin
CHEBI:68741
1403-36-7
3-(hydroxymethyl)-10b-(3-{[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl}-1h-indol-1-yl)-2-methyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione
NSC289491
CHEMBL1965934
SCHEMBL17240924
DTXSID20930759
NCI60_002373
F90097
Q27137160
3-(Hydroxymethyl)-10b-(3-{[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]octan-1-yl]methyl}-1H-indol-1-yl)-2-methyl-2,3,5a,6,10b,11-hexahydro-3,11a-epidithiopyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4-dione