A12-Iso5-2DC18 , CAS No.2412492-06-7

CAS: 2412492-06-7 Cat. No.: A1440293 Formule: C₄₅H₈₅N₃O₂ Poids moléculaire: 700.18

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

A12-Iso5-2DC18, an ionizable cationic lipid, is a potent mRNA delivery lipid vehicle.

Specifications

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Poids moléculaire

700.18

Application Protocols

No item-specific, validated application protocols are provided for this product. The following is general guidance for handling small-molecule library members in assay workflows.

Compound handling for HTS/assays (general)

• Upon receipt, inspect vials/plates and record lot number. Store at 2–8°C as specified. Equilibrate to room temperature in a desiccator before opening to minimize condensation.
• Prepare primary DMSO stocks (e.g., 10–50 mM). Filter if particulate persists (0.2 µm PTFE). Avoid prolonged exposure to air and light.
• Create single-use aliquots to reduce freeze–thaw cycles. Track with a sample management system (barcode, concentration, date prepared).
• For assay setup, normalize final DMSO to 0.5–1% v/v across wells. Include vehicle controls and, when possible, positive control compounds for benchmarking.
• Confirm delivered concentration by UV-Vis (if chromophore present) or quantitative 1H NMR using an internal standard.

Data integrity

• Use triplicates and at least 8-point concentration–response curves for hit confirmation.
• Apply counterscreens to flag fluorescence quenchers/enhancers or redox cyclers; integrate DLS or detergent controls for aggregation checks.

Adjust specifics to your assay SOPs; no Aladdin-validated application parameters are claimed for this item.

Biological Roles

Item-specific biological function, targets, or pathway roles are not provided for this compound.

General considerations for small-molecule library members

• In screening campaigns, biological roles are context-dependent and emerge from empirical testing against a chosen target or phenotype.
• Hits require rigorous confirmation: concentration–response curves, orthogonal assay formats, mechanism-of-action studies, and selectivity profiling.
• Consider potential assay interferences (fluorescence, redox activity, chelation, aggregation) that can masquerade as biological effects.

Research-use limitation

• This product is supplied for research use only. It is not intended for human or veterinary use, diagnostics, or as a drug, cosmetic, or household chemical.

If you identify activity

• Document assay conditions, solvent composition, and counter-screens.
• Request or determine the exact structure (if under disclosure terms) to enable SAR analysis and safety risk assessment prior to advanced research applications.

No organismal metabolism, transport, or biomolecular interaction data are available in the current product record. Consult your internal screening results or contact Aladdin Scientific for any accessible metadata under your project’s disclosure framework.

Buffer Applications

This product is a small-molecule library member and is not a buffering reagent. Conventional buffer system discussions (e.g., phosphate, Tris, HEPES ranges and recipes) are therefore not typically applicable.

Practical notes relevant to buffers in assays

• If the compound must be delivered in aqueous buffer, prepare a DMSO stock and dilute into the buffer just prior to use, maintaining final DMSO ≤0.5–1% v/v where assay-tolerated.
• Use well-characterized buffers (e.g., HEPES, PBS) with low background and consistent ionic strength to reduce variability in activity readouts.
• Filter buffers (0.22 µm) and degas if using biophysical methods sensitive to bubbles or particulates.

For specific buffer formulations or pH dependencies, rely on your assay’s SOP; no item-specific buffer behavior is provided in this listing.

Green Alternatives

Without a disclosed structure, we focus on making the solvent system around this compound greener while preserving assay integrity.

Greener solvent considerations (general)

• Prefer ethanol or isopropanol over methanol when feasible (reduced toxicity), acknowledging lower solvency for hydrophobic scaffolds.
• Use acetonitrile in analytical workflows as a less hazardous alternative to halogenated solvents; recover via solvent recycling where possible.
• Substitute 2-MeTHF or cyclopentyl methyl ether (CPME) for THF in synthetic steps involving this compound, if applicable (improved stability, lower peroxide risk), pending compound solubility and stability tests.
• Maintain DMSO stocks and dilute into aqueous buffers to minimize total organic solvent usage in assays.

Illustrative comparison (literature, general)

• THF vs 2-MeTHF: 2-MeTHF offers higher boiling point and bio-based origin; often comparable solvency.
• DMF/NMP vs alternatives: Consider propylene carbonate or dimethyl isosorbide for certain dissolutions; verify compatibility with assays and analytics.

Operational green practices

• Miniaturize assays (384/1536-well) to reduce solvent consumption.
• Employ solvent recovery and proper segregation of halogenated vs non-halogenated waste.

All substitutions should be validated experimentally for solubility, stability, and assay performance of A12-Iso5-2DC18.

Pharmaceutical Uses

No pharmacopeial or excipient status is provided for this item, and no pharmaceutical use is claimed.

Research/formulation context (general)

• In discovery settings, small molecules may be dissolved in vehicles such as DMSO, PEG 300/400, or aqueous buffers for in vitro experiments. Selection should be guided by solubility, stability, and compatibility with the biological assay.
• If preformulation studies are contemplated, determine pKa, logP/logD, solubility vs pH, and polymorph—none of which are specified for this item and must be experimentally established.

Compliance and limitations

• Supplied strictly for research use only. Not for human administration, clinical trials, compounding, or diagnostic procedures.

Documentation

• No USP/EP/JP monograph relevance is indicated. For any intended GLP use, secure and review a detailed CoA including analytical purity, identity confirmation, and residual solvent levels; these are not specified in the current product data.

Physical Properties

The following physicochemical specifications are not provided for this item and should be taken from the lot-specific CoA/Spec Sheet:

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting/Freezing Point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling Point: Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive Index: Not specified for this item; refer to CoA/Spec Sheet.
• pKa / pKb: Not specified for this item; refer to CoA/Spec Sheet.
• logP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• Water Solubility: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general, literature-based considerations for small molecules)

• When molecular properties are unknown, perform a tiered solubility screen: start with DMSO, DMF, methanol, ethanol, acetonitrile, isopropanol, and phosphate-buffered saline (PBS) with 0.5–1% DMSO cosolvent if aqueous delivery is required.
• Use sonication (5–10 min) and mild warming (≤37°C) to assist dissolution. Avoid strong heating until thermal stability is confirmed.
• If hydrophobic, consider stock in DMSO (10–50 mM), then dilute into assay media keeping final DMSO ≤0.5–1% v/v.
• If charged/ionizable, adjust pH (buffers pH 2–9) to explore solubility windows. Record pH upon dissolution for reproducibility.
• For hygroscopic or air-sensitive materials (status unknown here), minimize exposure time; cap promptly and use desiccant/inert atmosphere if necessary.

All definitive numerical values must be taken from the lot’s CoA; do not substitute literature estimates for specifications.

Quality and Grades

Item-specific quality attributes

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizers/Counterions/Salt Form: Not specified for this item; refer to CoA/Spec Sheet.

How to interpret typical grades for library compounds (general guidance)

• Library members are commonly supplied at research grade, targeting purity suitable for screening (often ≥90–95% by LC–MS/UPLC). The exact threshold and analytical method are lot-specific and must be confirmed on the CoA.
• If “HPLC grade solvent” or “low UV absorbance” is mentioned in documentation, that refers to solvent standards used during analysis rather than the compound.

What to expect on the CoA

• Analytical methods: LC–MS or UPLC with UV/ELSD, purity % by area, mass confirmation (m/z), sometimes 1H NMR.
• Identity confirmation: Retention time window, accurate mass or HRMS. Salt form and water content may be listed when relevant.

Implications for screening

• For HTS/SPR/biochemical assays, purity impacts false positives/aggregation. Verify purity, counterion, and solubility before assay inclusion.

Item-specific storage and shipping

• Storage: 2–8°C per product data.
• Shipping: Wet ice per product data.

For definitive acceptance criteria (purity, residual solvents, water, metals), rely on the lot-specific CoA/Spec Sheet; no such specifications are provided in the current listing.

Reaction and Applications

Item-specific reactivity cannot be detailed because the structure and functional groups are not provided. However, compounds in curated small-molecule libraries like this are commonly used in the following research contexts (general guidance):

• High-throughput screening (HTS): Primary phenotypic or target-based screens to identify hits. Ensure solubility, purity, and absence of pan-assay interference behaviors (PAINS) via orthogonal counterscreens.
• SAR expansion: If active, procure analogs or nearest neighbors to develop structure–activity relationships and potency/selectivity trends.
• Chemical biology probes: With appropriate validation, hits may be optimized to tool compounds for pathway interrogation (non-clinical research only).
• Cheminformatics QC: Use LC–MS analytics and NMR spot checks to confirm identity and monitor degradation during project timelines.

Practical tips (general)

• Verify concentration by UV-Vis or quantitative 1H NMR if chromophore/internal standard is available.
• Track freeze–thaw cycles to minimize variability; consider single-use aliquots.
• For aggregation-prone molecules, apply detergent controls, dynamic light scattering (DLS), or AMP/TC assays to detect colloids.
• Utilize orthogonal assays (e.g., biochemical vs cell-based) to de-risk false positives from redox cycling, fluorescence interference, or covalent reactivity.

No named reaction guidance is provided because the compound is not being supplied as a synthetic reagent in this listing.

Reaction Conditions

This section is generally not applicable because the compound is supplied as a library screening member rather than a designated reagent, and no functional group information is provided.

If you plan to manipulate the molecule chemically (general guidance)

• Establish solubility in a panel of solvents (DMSO, DMF, MeOH, ACN) and verify stability via LC–MS before attempting transformations.
• Start with ambient temperature scouting reactions and expand to 0–80°C as warranted, monitoring by LC–MS/UPLC.
• Use inert atmosphere (N2/Ar) until oxidative stability is known; include light protection if chromophores are suspected.

Expected yields, catalysts, or specific conditions cannot be offered for this item without structural disclosure. Consult literature once the structure is available.

Safety and Handling

GHS/Regulatory (item-specific)

• Signal Word: Not specified for this item; refer to SDS.
• Hazard Statements (H-Statements): Not specified for this item; refer to SDS.
• GHS Classification and Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (applicable to unknown small molecules)

• Handle in a chemical fume hood with standard PPE: lab coat, safety glasses or splash goggles, and appropriate chemically resistant gloves (e.g., nitrile). Consider double-gloving for extended handling of DMSO solutions.
• Avoid inhalation of dust or aerosols; prevent skin/eye contact. Use closed containers and low-retention tips when preparing stocks.
• Until hazards are characterized, treat as potentially harmful: avoid ingestion, inhalation, and environmental release. Collect waste as halogenated or non-halogenated organic based on solvent used; label containers accordingly.

First-aid overview (defer to SDS for authoritative instructions)

• Skin/eyes: Immediately flush with water for ≥15 minutes; remove contaminated clothing.
• Inhalation: Move to fresh air; seek medical attention if symptoms persist.
• Ingestion: Rinse mouth; do not induce vomiting; obtain medical attention.

Storage and incompatibilities

• Item-specific storage: Store at 2–8°C (from product data). Shipped on wet ice. Protect from light and moisture until specifications indicate otherwise.
• Incompatibilities are unknown; segregate from strong oxidizers, acids/bases, and reactive metals until more is known.

Always consult the product SDS and CoA for lot-specific hazard and handling information.

Solvent Selection

Because the structure is not disclosed in this listing, solvent choice should be guided by a pragmatic solubility and compatibility screen.

Recommended screening workflow (general best practice)

• Start with DMSO (broadest solvency for drug-like small molecules). Prepare a 10–50 mM stock and check clarity after vortex/sonication.
• If insoluble or limited-solubility in DMSO, evaluate: DMF, NMP, acetonitrile, methanol, ethanol, isopropanol.
• For aqueous delivery, dilute DMSO stock into buffer maintaining final DMSO ≤0.5–1% v/v; add 0.01–0.05% nonionic surfactant (e.g., Tween 20 or Pluronic F-127) if aggregation is suspected (assay-permitting).
• Adjust pH for ionizable compounds (acidic: pH 8–9; basic: pH 3–5) to enhance solubility; confirm compound stability by LC–MS.

Comparative notes (literature, general)

• DMSO: Very polar aprotic, miscible with water; high solvency, can affect assays at >1–2%.
• DMF/NMP: Strong solvents; consider worker exposure limits and substitution where possible.
• MeOH/EtOH/ACN: Easier to remove; lower solvency for highly lipophilic scaffolds; ACN offers low viscosity and UV transparency.

Compatibility

• Check for precipitation upon dilution into media; pre-rinse plasticware with dilute DMSO to minimize adsorption of hydrophobic compounds.
• For biophysical assays (SPR/ITC), match solvent composition in sample and reference channels to minimize refractive index artifacts.

Storage and Reconstitution

Item-specific storage

• Store at 2–8°C (from product data). Maintain in a dry, well-closed container. Protect from light and moisture until specifications clarify stability.
• Shipped on wet ice (from product data). Allow to equilibrate in a desiccator to room temperature before opening to prevent condensation.

Reconstitution guidance (general, since solvent/solubility not specified)

• Start with anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM). Vortex and sonicate briefly (5–10 min). If undissolved, test DMF, ACN, MeOH sequentially.
• For aqueous use, dilute the organic stock into buffer immediately before assay. Keep final DMSO ≤0.5–1% v/v when possible.
• If sterility is required, sterile-filter the final working solution through 0.22 µm PTFE or PES, depending on solvent composition.

Aliquoting and stability

• Prepare single-use aliquots to avoid repeated freeze–thaw. Record concentration, solvent, and date.
• Short-term working solutions can be held at 2–8°C; for longer storage of DMSO stocks, consider –20°C to –80°C only after verifying freeze stability (some compounds oil-out or precipitate). No item-specific long-term stability is provided—verify by LC–MS before reuse.

Disposal

• Dispose of solutions according to your institution’s chemical waste procedures aligned to the solvent system.

Any additional stabilization measures (antioxidants, desiccants, inert gas) are not specified for this item; consult the CoA/SDS for lot-specific recommendations.

Structure and Identity

Concise identification for a small-molecule library member.

• Product Name: A12-Iso5-2DC18 (SKU: A1440293)
• CAS: 2412492-06-7
• Category: Small molecules and compound libraries (screening compound)
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

Structural features

• Item-specific structural details (ring systems, heteroatoms, stereocenters, functional groups) are not provided in the current product data. For definitive structure, consult the supplied CoA/SDS or request the structure disclosure if available to your screening agreement.

2D structure (descriptive)

• Not available for this item in the provided data. If you require a line drawing (2D), please contact Aladdin Scientific with your purchase order or NDA context to determine access permissions.

Provenance

• The alphanumeric code suggests membership in an internally curated library plate/series. Use the CAS number as the primary cross-reference if you wish to query third-party databases.

Synthetic Utility

The structure and functional groups of A12-Iso5-2DC18 are not disclosed in this listing; therefore, specific synthetic transformations cannot be recommended.

General considerations if used in synthesis or as a reference standard

• If the compound is intended as a reference material for analytics (e.g., retention time or MS response), confirm identity and purity via LC–MS and, when available, NMR.
• If structural information becomes available, evaluate functional handle(s) (e.g., halides, boronates, azides, amines, acids) to plan cross-coupling, amide coupling, click chemistry, or late-stage diversification as appropriate.
• Assess chemical stability under acids/bases, oxidants/reductants, and heat to choose protecting strategies and workup conditions.

Documentation

• Because no reactive group specifications (e.g., electrophiles/nucleophiles) are provided, any synthetic use should be preceded by small-scale scouting experiments and literature searches keyed to the disclosed structure or CAS once validated.

Target Specificity

No target, pathway, or protein specificity is provided for A12-Iso5-2DC18 in the current product data.

• Antigen/epitope, species reactivity, or assay-validated targets are not specified.
• Any observed activity in your laboratory should be validated with appropriate controls and orthogonal methods to exclude non-specific mechanisms (e.g., aggregation, redox cycling, metal chelation).

For projects requiring target disclosure, please contact Aladdin Scientific to determine whether additional metadata can be shared under your screening agreement.

Foire aux questions

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 2412492-06-7, the molecular formula is C45H85N3O2, and the molecular weight is 700.18 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.