Dalbavancin hydrochloride - Moligand™, 10 mM in DMSO , CAS No.2227366-51-8

CAS: 2227366-51-8 Cat. No.: D1498708 Summenformel: C₈₈H₁₀₁C_l3N₁₀O₂₈ Molekulargewicht: 1853.15 PubChem CID: 165363511

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Desiccated,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Dalbavancin hydrochloride (MDL-63397 hydrochloride) is a semisynthetic lipoglycopeptide antibiotic with potent bactericidal activity against Gram-positive bacteria . Dalbavancin hydrochloride inhibits Staphylococcus aureus and Bacillus anthracis with MIC 90 s of 0.06 μg/mL and 0.25 μg/mL, respectively .

Specifications

Spezifikationen & Reinheit

Moligand™, 10 mM in DMSO

Storage

Desiccated,Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Namen und Kennungen

Isomere SMILES

CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=C(C(=CC(=C7)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C9=C(C=CC(=C9)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)[C@H](C(=O)N[C@H](C2=CC=C(O3)C=C2)C(=O)N1)NC)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O.Cl

PubChem CID

165363511

Molekulargewicht

1853.15

Application Protocols

No tested application protocols, assay formats, or recommended dilutions are provided for this item. Refer to your institutional SOPs and peer-reviewed literature for protocol development.

General guidance (non-specification):

• Prepare concentrated stock solutions in DMSO or water as appropriate; aliquot to avoid repeated freeze–thaw.
• For MIC or biochemical binding assays, validate solvent percentage, incubation times, and plate materials to minimize adsorption or precipitation.
• Confirm identity and purity of working solutions by LC–MS/HPLC when quantitative results are required.

Biological Roles

Literature/general background (no medical claims):

• Dalbavancin is a lipoglycopeptide that interacts with cell-wall biosynthesis pathways in Gram-positive bacteria by binding D-Ala-D-Ala termini of peptidoglycan precursors, thereby inhibiting transglycosylation/transpeptidation steps. The lipophilic side chain enhances membrane association relative to earlier glycopeptides.
• The molecule’s dense array of phenolic and carbohydrate functionalities underpins high-affinity, multivalent interactions with its ligand and contributes to reduced off-target effects in bacterial systems compared with small-molecule inhibitors.
• In biochemical and biophysical research, dalbavancin and related ligands are used to probe peptidoglycan architecture, to validate target engagement via ITC, SPR, or NMR, and to benchmark resistance-associated binding changes.
• As a large amphiphilic molecule, it may display self-assembly or micelle-like behavior in certain media, which can influence apparent potency in vitro; careful control experiments are advised.

Item-specific biological role data: Not specified for this item; refer to CoA/Spec Sheet for any additional characterization provided for the supplied lot.

Buffer Applications

This product is a bioactive reference compound, not a buffering agent. It does not serve as a pH buffer component in typical laboratory practice. For experimental design, refer instead to the Solvent Selection and Storage & Reconstitution sections for guidance on preparing compatible solutions for biochemical assays.

Green Alternatives

Green chemistry considerations for dalbavancin hydrochloride are limited because it is used as a specialized bioactive, not as a bulk solvent or commodity reagent.

• Applicability: Selection of a “greener” substitute is generally not relevant; performance and target engagement drive selection of such reference compounds. Any alternative would represent a different chemical entity with different biological properties.

Practical, greener handling choices (general):

• Minimize solvent volumes for stock solutions; prefer water over organic solvents when feasible.
• Use DMSO rather than more hazardous dipolar aprotics (e.g., DMF, NMP) for stock preparation when an organic co-solvent is required.
• Implement micro-scale assay formats to reduce compound consumption and waste.
• Choose low-adsorption, recyclable labware where compatible to reduce repeat dosing and waste.

Waste and safety:

• Collect all unused solutions and rinses as halogen-free organic waste (if DMSO) or aqueous hazardous waste per local regulation. Avoid drain disposal. Prevent environmental release of bioactive residues.

Pharmaceutical Uses

Context (no therapeutic claims):

• In pharmaceutical R&D settings, dalbavancin hydrochloride may be employed as an analytical reference standard, for method development/validation (e.g., LC–MS/MS quantitation), impurity profiling, and as a positive control in in vitro pharmacology or microbiology assays.
• Process and formulation research may use the material to assess stability under stress conditions (pH, temperature, light) and to evaluate container-closure compatibility or adsorption to materials.

Regulatory/formulary status: Not specified for this item; refer to CoA/Spec Sheet. Any pharmacopeial compliance, residual solvent limits, water content, counter-ion content, or identification tests are not provided in this listing and must be verified with lot-specific documentation if required for your application.

Physical Properties

• Appearance (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
• Melting point, boiling point, density, refractive index (item-specific): Not specified for this item; refer to CoA/Spec Sheet.

Literature/general characteristics for dalbavancin hydrochloride (non-specification):

• Physical state: typically isolated as an amorphous solid or lyophilized powder for reference use (literature/general).
• Solubility: soluble in water and polar aprotic solvents such as DMSO; poor solubility in nonpolar solvents (literature/general). For assay stocks, DMSO or aqueous buffers are commonly used.
• Amphiphilicity: overall hydrophilic due to sugars and phenols, with a lipophilic side chain imparting surfactant-like behavior in some media (literature/general).
• pKa/logP: not typically tabulated due to the macromolecular, polyfunctional nature; multiple ionizable phenolic and amine sites (literature/general).

Notes for users:

• Because large glycopeptides can form aggregates and show concentration-dependent apparent solubility, prepare stocks carefully and verify complete dissolution visually. If precipitation occurs upon dilution into aqueous media, small amounts of co-solvent (e.g., DMSO) or stepwise dilution can help. Always confirm final assay vehicle compatibility independently.

Quality and Grades

• Grade/Purity (item-specific): Moligand™.

About Moligand™ grade (general description):

• Intended for small-molecule and complex-molecule screening libraries, hit validation, and mechanism-of-action studies. Typical expectations include confirmed identity (e.g., by MS/NMR) and suitability for research assays; however, acceptance criteria and purity thresholds can vary among lots.
• UV background, residual solvent levels, water content, counter-ion stoichiometry, and salt form confirmation are important for assay reproducibility but are Not specified for this item; refer to CoA/Spec Sheet.

Implications for users:

• For quantitative work (e.g., potency determination, calibration standards), consult the lot-specific CoA for purity, identity data, and counter-ion content to calculate exact free-base equivalents if needed.
• If your workflow is chromatography-sensitive (LC-UV/LC-MS), review the CoA for any stabilizers or additives (none specified here) and confirm diluent compatibility.
• If solid form (lyo cake vs powder) matters for your automation or weighing, verify on the CoA or by inquiry before use.

Reaction and Applications

This product is primarily used as a bioactive reference compound rather than a synthetic reagent. No manufacturer application notes were provided for this SKU.

Research applications (literature/general; no clinical use implied):

• Mechanistic microbiology and cell-wall biosynthesis studies, e.g., binding interactions with peptidoglycan precursors in biochemical assays.
• Comparative activity benchmarking within lipoglycopeptide panels in vitro (e.g., MIC determinations against laboratory strains), with appropriate biosafety approvals.
• Analytical standard for LC–MS method development, impurity profiling, or stability-indicating assays in process and formulation research.
• Affinity probes: starting point for conjugation strategies (if permitted by your protocol) to create immobilized ligands for target capture studies; note that conjugation chemistry for such complex scaffolds requires careful site-selectivity.

Assay preparation notes (general):

• Prepare fresh or thawed aliquots from concentrated stocks; verify absence of visible particulates before use.
• Control for potential adsorption to plastics at low concentrations by using low-bind consumables and adding carrier protein only if compatible with your assay.
• Document exact salt form and hydrate level from the CoA to compute accurate molar concentrations.

Reaction Conditions

Conventional reaction-condition guidance (solvent, catalyst, temperature, yield) is not typically applicable to dalbavancin hydrochloride, which is used as a finished bioactive reference compound rather than a synthetic reagent.

For laboratory handling (general/non-specification):

• Solution preparation: dissolve in water or DMSO according to your assay needs; gentle warming (≤37 °C) and slow addition of solvent with mixing can help achieve full dissolution.
• Filtration: if sterile solutions are required, use low-protein-binding 0.22 µm filters; pre-rinse to minimize adsorption.
• Stability checks: verify concentration and integrity by LC–MS or HPLC before and after experimental sequences when data quality is critical.

Any named reaction conditions, catalytic systems, or yields are not relevant here and are intentionally omitted.

Safety and Handling

• GHS classification (item-specific): Not specified for this item; refer to SDS.
• Signal word, hazard statements, pictograms (item-specific): Not specified for this item; refer to SDS.

General laboratory safety for peptide/glycopeptide research compounds (literature/general):

• Handle in a chemical fume hood to avoid inhalation of dust or aerosols. Avoid skin/eye contact and ingestion.
• Recommended PPE: lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Use respiratory protection if dust/aerosol generation cannot be controlled.
• Hygiene: wash thoroughly after handling; avoid contact with incompatible materials and oxidants until compatibility is verified.
• First aid overview: in case of skin contact, wash with soap and water; for eye exposure, rinse with water for several minutes and seek medical attention; if inhaled, move to fresh air; if ingested, rinse mouth and seek medical advice. Always follow institutional SOPs and consult the SDS for authoritative guidance.
• Spill response: gently cover solids with damp disposable towels to minimize dust; collect for disposal as hazardous chemical waste. Decontaminate surfaces with suitable aqueous detergent.
• Special considerations: as a bioactive glycopeptide, avoid release to the environment. Prevent cross-contamination of bioassays by segregating tools and work areas. Dispose of waste in compliance with local regulations.

Solvent Selection

Dalbavancin hydrochloride is a large, polyfunctional lipoglycopeptide salt; solvent choice is driven by ionic character and aggregation behavior rather than simple polarity scales.

• Item-specific solubility: Not specified for this item; refer to CoA/Spec Sheet.

Literature/general guidance:

• Primary solvents: water (especially acidic to neutral pH), aqueous buffers, and DMSO. The hydrochloride form typically enhances aqueous solubility.
• Co-solvent strategies: Prepare a concentrated DMSO stock (e.g., 10–50 mM as solubility allows) and dilute into aqueous media with vigorous mixing; maintain final DMSO at assay-compatible levels.
• Avoid: nonpolar solvents (hexanes, toluene) and strongly basic media that can alter ionization and promote degradation.

Quick comparison (literature/general):

• Water/buffer: biocompatible, minimal UV background; may need gentle warming (≤37 °C) and time to fully dissolve.
• DMSO: excellent solvating power for amphiphilic macromolecules; ensure proper controls for bioassays.
• MeOH/EtOH: limited utility; may aid co-solvation at low percentages but risk precipitation on dilution.

Practical tips:

• Filter sterilization through low-protein-binding membranes (e.g., PVDF) can reduce particulates; avoid adsorption by pre-rinsing filters with solvent.
• Verify solution stability over time at working concentrations; many glycopeptides show better stability when stored frozen as aliquots.

Storage and Reconstitution

• Storage conditions (item-specific): Desiccated, Store at -80°C.
• Shipped in (item-specific): Dry ice packs + Cold packs.

Reconstitution guidance (item-specific): Not specified for this item; refer to CoA/Spec Sheet.

General best practices (non-specification):

• Allow container to equilibrate to room temperature in a desiccator before opening to minimize moisture condensation.
• Prepare solutions with high-purity water or analytical-grade DMSO; pass through low-protein-binding 0.22 µm filters if sterility is required.
• Aliquot immediately after initial dissolution to single-use portions; store aliquots tightly sealed at ≤ -80°C. Avoid repeated freeze–thaw cycles.
• Record exact solvent, concentration, and salt-equivalent calculations in your lab notebook for reproducibility.
• Inspect frozen aliquots periodically and discard if discoloration, visible precipitation (on thaw that does not redissolve), or significant degradation is detected by analytical methods.

Expiration/retention: Not specified for this item; establish an internal retest period based on your stability data.

Structure and Identity

Dalbavancin hydrochloride is a complex lipoglycopeptide salt used as a research-grade reference compound.

• Item-specific identifiers

  • CAS: 2227366-51-8
  • SKU: D1498708
  • Grade: Moligand™
  • Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.

• Structural features (literature/general)

  • Lipoglycopeptide macrocycle based on a heptapeptide aglycone with multiple aromatic residues and phenolic substituents.
  • Two carbohydrate moieties (including an N-acylglucosamine derivative) appended to the peptide core; overall polyhydroxylated and highly polar, with multiple phenolic and carboxamide functions.
  • A lipophilic side chain (long-chain alkyl/aryl ether) confers membrane affinity; hydrochloride denotes protonation of basic sites and enhanced aqueous solubility.
  • Contains multiple chiral centers (dozens), typical of glycopeptide scaffolds; no configurational data are specified for this product listing.

• 2D structure in words (literature/general)

  • A constrained peptide macrocycle bearing several crosslinks between aromatic residues, decorated with sugar residues and a lipophilic tail; functional groups include phenols, ethers, amides, and secondary/tertiary alcohols. The HCl salt form implies at least one protonated amine site on the molecule.

Synthetic Utility

Dalbavancin hydrochloride is not typically used as a building block for chemical synthesis. Instead, it serves primarily as a bioactive standard. Nevertheless, in advanced research contexts:

• Conjugation chemistry (literature/general): Selective derivatization of peripheral phenolic or carbohydrate hydroxyl groups may be explored to generate affinity probes, fluorescent conjugates, or immobilized ligands. Such modifications demand orthogonal protection strategies to preserve the macrocycle and binding pharmacophore.
• Analytical derivatization: Formation of noncovalent complexes or ion-pairing can aid mass spectrometric method development; covalent tagging for imaging or pull-down studies can be considered where site-selectivity is established.
• Degradation pathway elucidation: Forced-degradation studies (acid/base, oxidative, photolytic) provide mechanistic insights into stability, which inform formulation and storage; these are not synthetic transformations per se but can reveal reactive hot-spots in the scaffold.

Item-specific synthetic reactivity or functional-group specifications are not provided for this SKU; consult primary literature and perform feasibility studies on small scale before attempting any derivatization.

Target Specificity

Item-specific target information (antigen, epitope, species reactivity, clone/isotype) is not applicable to this small-molecule/lipoglycopeptide product and is not provided.

Note: For biologically oriented studies, researchers commonly consider interactions with peptidoglycan precursors; however, no target specificity data are provided for this item. Refer to primary literature and your assay design.

Häufig gestellte Fragen

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?80 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2227366-51-8, the molecular formula is C88H101Cl3N10O28, and the molecular weight is 1853.15 g/mol.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.