Exploring the Properties and Significance of CAS 2788845-79-2

Exploring the Properties and Significance of CAS 2788845-79-2

In the intricate world of pharmaceutical research, specialized compounds are pivotal—even if they don’t always enter the spotlight. One such molecule catalogued by Pharmaffiliates is ((5S)-5-((R)-2-((S)-4-Amino-2-((S)-2-amino-3-methylbutanamido)-4-oxobutanamido)-3-mercaptopropanamido)-13-(aminomethyl)-6,9-dioxo-…-L-histidine, identified under CAS No. 2788845-79-2.

Though condensed into a mouthful of systematic nomenclature, this molecule reflects a design that combines multiple amino units, a sulfur (mercapto) group, and a histidine moiety—features that hint at biochemical utility.

This article explores what Pharmaffiliates reports about the compound, its structure and properties, potential applications, and the challenges and prospects for researchers considering its use.

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What Pharmaffiliates Provides

From the Pharmaffiliates listing, here’s a summary of the key data available:

• CAS Number: 2788845-79-2 

• Chemical / Systematic Name: The full systematic name (as above) encompassing multiple chiral centers, amino and amido linkages, a mercapto group, and a histidine derivative Molecular Formula: C₃₇H₅₀N₁₂O₉S 

• Molecular Weight: 838.94 

• Appearance: Not specified (“NA”)

• Storage Conditions: 2–8 °C (refrigerator) 

• Shipping Conditions: Ambient (i.e. stable enough under standard shipping conditions) 

• Category: misc. compounds (i.e. not placed under a more specific category) 

• Applications: Not specified (marked “NA”) 

Because the listing does not include an explicit use case, we must infer plausible roles for this molecule based on its structure and general context in pharmaceutical science.

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Structural Features & What They Imply

By dissecting its chemical name, several characteristics stand out:

1. Multiple Stereocenters / Chirality
   The “(5S)”, “(R)”, “(S)” designations indicate that each asymmetric carbon is controlled. This complexity is typical of biologically active peptides or analogues.

2. Peptide / Amide Linkages
   Segments like “amido”, “butanamido”, “prop anamido” show that this molecule is constructed by linking amino acid (or amino acid–like) units. It behaves like a polypeptide or peptidomimetic.

3. Mercapto / Sulfur Functionality
   The “3-mercaptopropanamido” unit introduces a thiol (–SH) group. Thiols are reactive, potentially enabling disulfide bonding, redox chemistry, or covalent interactions with proteins or enzymes.

4. Histidine Component
   The tail of the molecule is “L-histidine,” meaning it ends (or includes) a histidine residue. Histidine’s imidazole side chain is often involved in metal coordination or catalytic activity in enzyme active sites.

Given these features, the molecule likely is designed to mimic or interact with biological macromolecules (e.g. proteins, enzymes) in a precise, chiral-dependent fashion.

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Possible Applications & Roles

Because Pharmaffiliates does not list the application, we must make educated guesses. Here are potential uses:

• Reference Standard / Analytical Standard
  In the pharmaceutical and analytical chemistry world, complex compounds such as this one frequently serve as reference standards (especially for impurities or metabolites). Labs use them to calibrate instruments (HPLC, LC-MS), verify purity, or validate analytical methods.

• Biochemical / Enzyme Assay Tool
  The molecule might act as a substrate analogue, inhibitor, or binding ligand in enzymatic or receptor assays. Its tailored structure (thiol group, peptide backbone, histidine) may allow it to bind to specific protein sites.

• Drug Discovery Lead or Intermediate
  It may be a scaffold or building block in the development of peptide therapeutics, or a step in the synthetic route toward biologically active derivatives.

• Structural / Binding Studies
  Researchers working in structural biology (X-ray crystallography, NMR) might use it to probe binding pockets, to co-crystallize with target proteins, or to map interaction surfaces.

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Challenges & Considerations for Researchers

If a lab wants to use CAS 2788845-79-2, there are significant practical and technical hurdles:

1. Purity & Impurities
   With many functional groups, side reactions or byproducts are likely. Strict characterization (e.g. NMR, MS, HPLC) is essential.

2. Stability & Handling
   The supplier recommends storage at 2–8 °C, which suggests the molecule is sensitive to heat, humidity, or possibly oxidation (especially the thiol). Use inert atmosphere or antioxidants if needed.

3. Solubility / Formulation
   The many polar and ionizable groups suggest aqueous solubility, but aggregation or precipitation might occur depending on buffer conditions. Optimizing pH, ionic strength, and co-solvents may be needed.

4. Cost & Access
   As a specialized compound, it likely comes at a high price per milligram and may be available in limited batch sizes.

5. Lack of Public Application Data
   Since the listing doesn’t state its use case, researchers must run pilot experiments to validate activity, binding, or stability.

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Why Molecules Like This Matter

• Bridging Small Molecules and Proteins
  Small molecules sometimes fail to engage large, flat protein surfaces effectively. Peptide or peptide-like analogues (such as this one) can better interact with such surfaces, offering specificity and binding strength.

• Analytical Reference Importance
  As drug development becomes more precise, having high-quality, traceable reference compounds is vital for regulatory compliance, method validation, and quality control.

• Enabling Discovery Tools
  Compounds like this may serve as chemical probes—tools to understand enzyme mechanisms, binding interactions, or conformational dynamics in biomolecules.

Pharmaffiliates stands as a trusted global manufacturer and supplier of impurity standards and reference materials, delivering certified compounds that meet the highest analytical and regulatory standards.