[(6-{[(2R,3R,4R,5R,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxepan-2-yl]oxy}hexyl)carbamoyl]ethoxy)methyl]propan-2-yl)carbamoyl]butanoate
[CAS# 1637413-81-0]

Identification

• Classification: Organic raw materials >> Carboxylic compounds and derivatives >> Carboxylic esters and their derivatives
• Name: [(6-{[(2R,3R,4R,5R,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxepan-2-yl]oxy}hexyl)carbamoyl]ethoxy)methyl]propan-2-yl)carbamoyl]butanoate
• Synonyms: benzyl 5-[[1,3-bis[3-[6-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxepan-2-yl]oxyhexylamino]-3-oxopropoxy]-2-[[3-[6-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxepan-2-yl]oxyhexylamino]-3-oxopropoxy]methyl]propan-2-yl]amino]-5-oxopentanoate
• Molecular Formula: C₈₈H₁₃₇N₇O₃₆
• Molecular Weight: 1869.05
• CAS Registry Number: 1637413-81-0
• SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](CO[C@H]1OCCCCCCNC(=O)CCOCC(COCCC(=O)NCCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](CO2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)(COCCC(=O)NCCCCCCO[C@H]3[C@@H]([C@H]([C@@H]([C@H](CO3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)NC(=O)CCCC(=O)OCC4=CC=CC=C4)COC(=O)C)OC(=O)C)OC(=O)C

Discovory and Applicatios

[(6-{[(2R,3R,4R,5R,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxepan-2-yl]oxy}hexyl)carbamoyl]ethoxy)methyl]propan-2-yl)carbamoyl]butanoate is a complex chemical compound that belongs to a class of molecules known for their diverse applications, particularly in the fields of medicinal chemistry and drug design. The structure of this compound is intricate, featuring multiple functional groups such as acetamido, acetoxy, and carbamoyl groups, which contribute to its reactivity and potential biological activity. While the compound is not widely known in its isolated form, its complex architecture may point to its potential use in areas like drug delivery, as well as in the design of compounds with specific pharmacological effects.

The compound itself can be viewed as a derivative of oxepane, a seven-membered cyclic ether, where various acetyl and acetamido groups are strategically positioned to alter the molecule’s pharmacokinetic properties. The specific stereochemistry of the oxepane ring, denoted by the R configuration at positions 2, 3, 4, 5, and 6, suggests a precise molecular arrangement that could influence the compound’s interaction with biological targets.

This compound has potential applications as a drug delivery system, particularly due to the presence of ester linkages and functional groups that are known to modulate the solubility, stability, and release profiles of therapeutic agents. The incorporation of ester and carbamate groups in the structure can aid in enhancing the lipophilicity of the molecule, potentially allowing it to cross biological membranes more effectively. Moreover, the presence of the oxepane ring, which is a cyclic ether, could play a role in stabilizing the structure and facilitating controlled release of active components when utilized in pharmaceutical formulations.

In addition to drug delivery applications, the compound could have utility in the synthesis of more complex molecules, particularly in the context of designing prodrugs. Prodrugs are pharmacologically inactive compounds that can be metabolized in the body to release an active drug. The ester and carbamate groups present in this structure are typical of prodrug chemistry, which aims to improve drug absorption and prolong circulation times in the bloodstream.

Further, the molecule’s complex structure may also make it an interesting candidate for research into the design of inhibitors or ligands for specific enzymes or receptors. Such compounds could be tailored for targeted therapy, offering more selective action with fewer side effects compared to traditional small-molecule drugs. For instance, it could be engineered to interact with enzymes that are involved in specific diseases, such as cancer or neurodegenerative disorders.

While specific studies on the compound's biological activity are limited, its structure suggests that it may be tested for a range of biological effects, including antimicrobial, anticancer, or anti-inflammatory activities, as these are common targets for compounds with similar functional groups.

Overall, [(6-{[(2R,3R,4R,5R,6R)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]-3-acetamidooxepan-2-yl]oxy}hexyl)carbamoyl]ethoxy)methyl]propan-2-yl)carbamoyl]butanoate represents a class of compounds that are still under exploration for their medicinal properties, particularly in the context of prodrug development and drug delivery. Its potential as a therapeutic agent or delivery system remains an interesting area of research.