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Dihexa is supplied by Rexar as a research-grade chemical reference material for analytical chemistry, compound identification and laboratory comparison workflows. This synthetic peptide-derived small molecule is provided exclusively for controlled research environments requiring verified chemical identity, defined stereochemistry and consistent structural reference documentation.
Dihexa (CAS 1401708-83-5) is available directly through the Rexar webshop and supplied in sealed laboratory packaging for distribution within the European Union.
Rexar Technical Compound Datasheet (PDF)
Dihexa is a synthetic oligopeptide-derived compound incorporating amino acid residues and an aliphatic acyl chain within a multi-amide framework. The molecular structure contains tyrosine- and isoleucine-derived fragments linked through amide bonds, combined with a hexanoic acid side chain and a terminal aminohexanoic amide moiety.
The molecule can be described as a modified dipeptide analogue featuring multiple stereocenters and flexible aliphatic segments. The presence of several amide linkages contributes to hydrogen bonding potential and conformational characteristics typical of peptide-derived structures.
The IUPAC designation specifies stereochemical configurations at multiple chiral centers ((2S,3S) notation). Defined stereochemistry is critical in structural verification workflows, as stereoisomers may display distinct spectroscopic and chromatographic behaviour.
Chiral centres within amino acid-derived fragments influence three-dimensional molecular orientation. In analytical chemistry, stereochemical purity may be evaluated through chiral chromatographic techniques where applicable.
Dihexa contains several amide bonds connecting its amino acid-derived segments. Amide linkages are characterised by partial double-bond character due to resonance stabilisation between carbonyl and nitrogen atoms. This resonance restricts rotational freedom and influences overall molecular conformation.
Infrared spectroscopy typically reveals characteristic amide carbonyl stretching frequencies. In NMR analysis, amide protons and alpha-carbon environments may produce distinguishable signals consistent with peptide-like frameworks.
The molecular formula C27H44N4O5 reflects the presence of carbon, hydrogen, nitrogen and oxygen atoms arranged within multiple amide and aromatic functionalities.
The phenolic hydroxyl group contributes additional hydrogen bonding capacity, while the aliphatic chain increases hydrophobic character relative to shorter peptide analogues.
Due to its multiple amide groups and hydroxyl functionality, Dihexa possesses several potential hydrogen bond donors and acceptors. These features influence solubility characteristics and chromatographic retention behaviour.
Hydrogen bonding capacity may also affect solid-state packing and intermolecular association under controlled conditions.
Unlike rigid aromatic systems, Dihexa contains flexible aliphatic segments, including hexanoyl and aminohexanoic chains. These flexible regions allow multiple conformational states depending on environmental conditions.
Conformational diversity can influence chromatographic peak shape and retention time during reversed-phase LC analysis.
Under reversed-phase HPLC conditions, retention is influenced by hydrophobic interactions between aliphatic segments and the stationary phase. The hexanoic side chain increases lipophilic character relative to unsubstituted peptide fragments.
Mobile phase composition, gradient parameters and column chemistry may significantly influence retention time and separation efficiency.
With a molecular weight of 504.66 g/mol, Dihexa falls within a mass range suitable for LC-MS analysis. Electrospray ionisation typically produces protonated molecular ions corresponding to the theoretical molecular mass.
Fragmentation patterns may include cleavage at amide bonds or loss of side-chain fragments, supporting structural confirmation.
Dihexa is supplied as a white to off-white powder. Peptide-derived compounds may display defined melting transitions or amorphous characteristics depending on preparation and storage history.
Refrigerated storage between 2–8 °C is recommended to maintain structural integrity and minimise potential degradation under laboratory storage conditions.
Dihexa may serve as a qualitative reference compound in structural verification workflows involving LC-MS, HPLC and NMR techniques. Analytical procedures may include retention time comparison, spectral confirmation and comparative profiling under controlled laboratory conditions.
Dihexa can be structurally classified as a synthetic peptide analogue containing amino acid-derived residues linked through multiple amide bonds. Unlike simple dipeptides, the structure incorporates extended aliphatic side chains and terminal modifications that increase molecular complexity while retaining recognizable peptide-like architecture.
The tyrosine-derived fragment contributes an aromatic phenolic ring system, while the isoleucine-derived segment introduces a branched aliphatic side chain. Together, these residues create a hybrid framework combining aromatic and hydrophobic regions within a multi-amide backbone.
The molecular backbone consists of sequential amide linkages connecting alpha-carbon centers derived from amino acid precursors. Each alpha-carbon contributes stereochemical orientation and influences overall three-dimensional structure.
The hexanoyl group at the N-terminus increases lipophilic surface area relative to unmodified peptide analogues. The terminal aminohexanoic amide moiety further extends the aliphatic region, modifying polarity distribution across the molecule.
Alpha-carbon centers derived from amino acids are stereochemically defined. The (2S,3S) configuration specified in the IUPAC name indicates controlled stereochemical orientation. In analytical chemistry, stereochemical configuration may influence retention times and NMR coupling patterns.
Stereochemical consistency is particularly relevant for reference materials intended for structural comparison workflows.
Amide bonds typically favour the trans configuration due to steric and electronic factors. This geometric preference contributes to predictable backbone orientation in peptide-like compounds.
Restricted rotation around amide bonds may influence conformational equilibrium in solution, observable through advanced spectroscopic techniques.
Dihexa contains both polar amide and hydroxyl groups as well as extended hydrophobic aliphatic chains. This amphiphilic character influences solubility behaviour and chromatographic retention.
The concept of lipophilicity, often described qualitatively in terms of hydrophobic surface contribution, is relevant when evaluating reversed-phase chromatographic behaviour.
The presence of multiple amide carbonyl groups and nitrogen atoms contributes to polar surface area. While no numerical values are provided, it is evident that hydrogen bonding capacity plays a role in molecular interaction with solvents and stationary phases.
In electrospray ionisation mass spectrometry (ESI-MS), peptide-derived compounds commonly form protonated molecular ions. The presence of multiple amide and amine functionalities supports protonation under positive ion mode conditions.
Fragmentation pathways may involve cleavage at amide bonds, producing characteristic fragment ions corresponding to partial backbone structures.
Amide bonds are generally stable under neutral laboratory conditions but may undergo hydrolysis under strongly acidic or basic environments. Controlled storage conditions minimise such degradation pathways.
The phenolic hydroxyl group derived from the tyrosine fragment may be sensitive to oxidative conditions. Protection from excessive light and elevated temperature supports long-term stability.
The molecular formula C27H44N4O5 reflects a relatively high carbon and hydrogen content consistent with extended aliphatic regions. Nitrogen atoms correspond to amide and amine functionalities, while oxygen atoms are associated with carbonyl and hydroxyl groups.
Theoretical elemental analysis values may be used to confirm compositional consistency during identity verification procedures.
As a chemical reference material, Dihexa may be utilised for qualitative structural comparison and method validation in laboratories investigating peptide-derived analogues. Analytical reproducibility relies on consistent retention behaviour, spectral conformity and molecular mass confirmation.
Reference-grade materials contribute to internal quality control processes by providing structurally verified comparison standards.
Each unit is supplied in sealed laboratory packaging designed to preserve structural integrity during storage and transport. Batch identification labeling supports traceability and internal documentation within research environments.
Molecular structure data and selected physicochemical properties can be consulted via: Dihexa on PubChem .
What is the CAS number of Dihexa?
The CAS number is 1401708-83-5.
In which form is Dihexa supplied?
White to off-white powder in sealed laboratory packaging.
What are the recommended storage conditions?
Refrigerated storage between 2–8 °C in a dry, light-protected environment.
Is this product intended for human or animal use?
No. This material is supplied exclusively as a laboratory reference compound.
Disclaimer:
This product is intended for laboratory research use only. It is not intended for human or animal consumption, nor for medical, diagnostic or therapeutic applications.
| Intended use: | Laboratory research and analytical reference purposes only |
| Application area: | Analytical chemistry, reference comparison and method development |
| End user: | Professional users in controlled research environments |
| Regulatory classification: | Chemical reference material |
