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Boc-DMQC

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Identification
Molecular formula
C48H54N14O11S3
CAS number
202132-31-0
IUPAC name
N-[11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
State
State

Solid at room temperature.

Melting point (Celsius)
234.00
Melting point (Kelvin)
507.00
Boiling point (Celsius)
653.00
Boiling point (Kelvin)
926.00
General information
Molecular weight
1117.32g/mol
Molar mass
1 117.3150g/mol
Density
1.4200g/cm3
Appearence

It is a pale yellow, crystalline solid that is nearly odorless. The compound is often found in powder form and can absorb moisture from the air if not properly stored.

Comment on solubility

Solubility of N-[11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide

The solubility of this compound, with the complex chemical formula C48H54N14O11S3, is influenced by several factors due to its intricate molecular structure. Here are some highlights regarding its solubility characteristics:

  • Polarity: The presence of numerous functional groups, particularly carbonyls and amides, suggests a degree of polarity that may enhance solubility in polar solvents such as water and methanol.
  • Hydrophobic Interactions: The long hydrocarbon chains may lead to hydrophobic interactions, complicating solubility in highly polar environments.
  • Solvent Dependency: This compound may exhibit variable solubility depending on the nature of the solvent; for example, it may dissolve more readily in organic solvents like dimethyl sulfoxide (DMSO) or acetone than in water.
  • Temperature Effects: Elevated temperatures can often improve solubility for many compounds, making it essential to consider thermal conditions during solubility assessments.

In conclusion, while this compound may possess some solubility due to its polar functionalities, the significant presence of hydrophobic elements can create challenges. Therefore, experimental validation in specific solvent systems is recommended to accurately determine solubility profiles.

Interesting facts

Interesting Facts about N-[11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide

This complex compound exemplifies the intricate world of organic chemistry and the fascinating derivatives that can be produced within this field. It is intriguing not just for its lengthy name, but for its underlying structures and potential applications. Here are some interesting aspects to consider:

  • Molecular Complexity: The extensive structure of this compound showcases the intersection of multiple chemical functionalities, including isopropyl groups, sulfonyl moieties, and quinoxaline components.
  • Pharmaceutical Potential: Quinoxaline derivatives are known for their biological activity, particularly in drug development. This specific compound may have potential uses in medicinal chemistry, targeting various diseases.
  • Structural Diversity: The configuration of hexamethyl and dioxa groups suggests that it could exhibit unique electronic properties, making it a candidate for advanced materials in organic electronics.
  • Challenging Synthesis: The synthesis of such large organic molecules requires advanced synthetic techniques and careful manipulation of reaction conditions, often involving multiple steps and purification processes.
  • Research Significance: Beyond its potential as a pharmaceutical agent, this compound may serve as a valuable template in organic synthesis, inspiring chemists to explore structural modifications and their effects on biological activity.

As we delve deeper into the study of such complex compounds, we gain not only a better understanding of their properties but also how we can manipulate these structures for potential innovative solutions in various fields, from medicine to materials science. The study of molecules like this one is a testament to the artistry and precision required in the world of chemistry, inviting both curiosity and exploration.

Synonyms
Echinomycin
Levomycin
Quinomycin A
512-64-1
NSC526417
MLS002702903
1403-88-9
Quinomycin A;NSC-13502
S-426-S (Lepetit)
SMR001566720
Echinomycin A
N,N'-(11,24-diisopropyl-2,4,12,15,17,25-hexamethyl-27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosane-7,20-diyl)bis(quinoxaline-2-carboxamide)
DTXSID5031266
GNF-PF-1958
Quinomycin A (7CI,
cid_3197
Neuro_000224
SCHEMBL63091
CHEMBL263730
BDBM93922
Antibiotic C638-8, crystalline
CHEBI:220035
N-[2,4,12,15,17,25-hexamethyl-27-methylsulfanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
NSC13502
AKOS040741684
echinomycin (undefined stereochemistry)
NS00120238
C 6388
Q5332566
BRD-A68969091-001-12-7
2-Quinoxalinecarboxmide,N'-[2,4,12,15,17,25-hexamethyl-~ 11,24-bis(1-methylethyl)-27-(methylthio)-3,6,10,13,16,19,23~ ,26-octaoxo-9,22-dioxa-28-thia-2,5,12,15,18,25-hexaazabicyclo [12.12.3]nonacosane-7,20-diyl]bis-
2-Quinoxalinecarboxmide,N'-[2,4,12,15,17,25-hexamethyl-11,24-bis(1-methylethyl) -27-(methylthio)-3,6,10,13,16,19,23,26-octaoxo-9,22-dioxa -28-thia-2,5,12,15,18,25-hexaazabicyclo[12.12.3]nonacosan e-7,20-diyl]bis-
N-[2,4,12,15,17,25-hexamethyl-27-methylsulanyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoxaline-2-carbonylamino)-9,22-dioxa-28-thia-2,5,12,15,18,25-hexazabicyclo[12.12.3]nonacosan-7-yl]quinoxaline-2-carboxamide
WLN: T C-16-6-16-/CE& A B C- C- 2CP E& AS CX C-S DNV GMV KOV NNV PXNV TMV A&OV D&NVTJ D1