IAJD249 - ≥98% , CAS No.I1440298

CAS: I1440298 Cat. No.: I1440298 分子式: C₃₉H₇₈N₂O₆ 分子量: 671.05

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

IAJD249 is an ionizable lipid. The ability of ionizable lipids to form unstable non-bilayer structures at acidic pH is key for endosomal escape and cytosolic delivery of RNA. IAJD249 can be used in the preparation of liposomes.

Specifications

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

分子量

671.05

Application Protocols

No tested applications or protocols are provided in the Product Data for IAJD249.

General protocols for library compounds (non-item-specific):

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM. Vortex and sonicate as needed. Filter if particulate remains.
• Aliquoting: Dispense into single-use vials or 96/384-well plates to avoid repeated freeze–thaw. Seal to minimize evaporation and moisture ingress.
• Assay dosing: Dilute stocks into assay media keeping final DMSO ≤1–2% v/v (or per your assay tolerance). Include vehicle-only and interference control wells.
• Stability checks: After assay setup, reserve a sample for LC–MS to confirm no rapid degradation or adduct formation in the assay matrix.

For chromatographic purification or recrystallization (if needed):

• Start with greener systems (heptane/EtOAc or cyclohexane/EtOAc). Adjust polarity with isopropanol or methanol as required. Verify purity by orthogonal methods (HPLC and qNMR).

Biological Roles

Biological function, targets, and pathway involvement for IAJD249 are not disclosed in the Product Data.

Item-specific biological information:

• Target/pathway: Not specified for this item; refer to CoA/Spec Sheet or screening deck metadata.
• Pharmacology/toxicology: Not specified for this item; refer to SDS and your internal screening results.

General guidance for small-molecule library members:

• Treat as target-agnostic until screening reveals activity. Use broad profiling panels or phenotypic assays to discover potential MoA.
• Incorporate assay interference controls (e.g., redox cycling, aggregation using detergent counterscreens, autofluorescence scans) to reduce false positives.
• If hits emerge, prioritize orthogonal confirmation (biochemical vs cellular), preliminary SAR via analog search, and basic ADME profiling (solubility, stability in buffer/microsomes, permeability surrogates).

Notes:

• No clinical or therapeutic claims are made or implied. This product is for research use only.
• For any use involving biological systems, ensure vehicle (DMSO/EtOH) concentration remains within assay-tolerated limits and that compound identity/purity are verified before biological interpretation.

Buffer Applications

This product is a small-molecule library member and is not a buffering reagent. No buffer-capable functional groups, pKa values, or buffer system recommendations are provided in the Product Data.

If you must use the compound in buffered systems (general guidance):

• Prepare concentrated DMSO stock (e.g., 10–50 mM) and dilute into your assay buffer keeping final DMSO ≤1–2% v/v, unless your system tolerates higher.
• Verify stability in the intended buffer (pH, ionic strength, temperature) by LC–MS over the assay timeframe.

For buffer selection itself, choose established systems (e.g., phosphate, HEPES, MOPS, Tris) appropriate to your biological assay; these are not specific to IAJD249.

Green Alternatives

Without a defined structure or intended operation (solvent vs reagent), green chemistry guidance focuses on solvent and process choices surrounding handling, analysis, and potential transformations of the compound.

Greener solvent choices for dissolution/processing (general):

• Prefer bio-based or lower-toxicity solvents when feasible: 2-methyltetrahydrofuran (2-MeTHF), cyclopentyl methyl ether (CPME), ethyl acetate, ethanol, isopropanol, acetone.
• Minimize DMSO/DMF/DMAC/NMP loads in preparative work; use EtOAc/EtOH/acetone for workups and crystallizations where solubility permits.

Comparison highlights (general literature):

• 2-MeTHF vs THF: 2-MeTHF is partially bio-based, less miscible with water (facilitates separations), and more peroxide-resistant; THF offers broader polarity but forms peroxides readily.
• CPME vs DCM: CPME has lower toxicity and favorable azeotrope behavior; DCM provides strong solvency but is problematic for worker exposure and emissions.

Operational guidance:

• Design small-scale solubility screens to identify greener eluents for chromatography (e.g., heptane/EtOAc or cyclohexane/EtOAc instead of hexane/EtOAc or DCM/MeOH).
• Reduce waste by concentrating stocks, using microplate formats for screening, and reusing conditioned silica where validated.

Tradeoffs:

• Some greener solvents have higher boiling points/viscosities (slower drying) and may show different selectivity in chromatography; validate against your analytical endpoints.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation guidance is provided for IAJD249. This product is supplied strictly for research use and is not intended for human or veterinary use.

General context for small-molecule screening compounds (non-item-specific):

• Formulation-like handling for research: DMSO master stocks, potential conversion to salt forms to enhance solubility (if functional groups permit), and short-term aqueous dosing for in vitro assays.
• Preformulation screens (if advancing a hit): Solubility/pH profiles, stability vs. light/oxidation, and compatibility with common vehicles. These activities are exploratory and not product specifications.

Regulatory note:

• No USP/EP/JP monograph linkages or GMP status are implied. Do not use in clinical, diagnostic, or manufacturing settings.

Physical Properties

No compound-specific physicochemical data are provided in the Product Data for IAJD249 (SKU I1440298).

Item-specific values (specifications):

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting 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.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

General laboratory approach when properties are unknown (literature-based best practices):

• Initial solubility screen: test DMSO (100 mg/mL target), DMF, methanol, ethanol, acetonitrile, isopropanol, and aqueous buffers with ≤1–5% DMSO cosolvent. Sonication and gentle warming (≤40 °C) can aid dissolution.
• Rapid profiling: LC–MS (ESI±), HPLC or UPLC for purity/retention; 1H NMR (DMSO‑d6, CDCl3, MeOD‑d4) to assess integrity; observe for polymorphism or degradation.
• Hygroscopicity and volatility checks: record mass drift over time at ambient; note odor and evaporation to infer volatility.
• Stability scouting: store aliquots at −20 °C (per Product Data) and evaluate after freeze–thaw cycles by LC–MS/HPLC.

Note: Any numerical values derived in your lab should be recorded as in-house measurements, not item specifications.

Quality and Grades

Item-specific grade/purity is not provided in the Product Data for IAJD249 (SKU I1440298).

Item-specific details:

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.

Interpreting common grades (general guidance):

• Screening library grade: Typically suitable for HTS and SAR triage; purity often ≥90% by HPLC/LC–MS unless otherwise noted. Verify with the supplied CoA.
• Analytical/AR grade: Emphasis on defined impurity profiles; may indicate suitability for analytical development.
• HPLC grade (for solvents): Low UV cut-off and sub-ppm levels of common interferences; not applicable unless this item is a solvent (it is a small molecule).

Stabilizer implications (general):

• If monomers/olefins are stabilized (e.g., BHT, MEHQ), these additives may interfere with bioassays or polymerizations; remove by preparative chromatography when necessary.
• If salts are supplied (HCl, TFA, acetate), counterions influence solubility and pH. Confirm salt form on the CoA.

Quality verification suggestions:

• Confirm identity by LC–MS and, if available, compare retention time with reference standard.
• Assess purity by orthogonal methods (UV-HPLC and qNMR) prior to critical experiments.
• Record batch/lot and attach CoA in your ELN for traceability.

Reaction and Applications

Manufacturer Applications: Not provided for this item in the Product Data.

Given that IAJD249 is listed under “small molecules and compound library,” the most common use is as a screening compound for target identification, SAR initiation, and method development. Without a disclosed structure, no specific reactivity or application domain can be asserted.

General research applications for library members (non-item-specific, literature-based):

• Biochemical/biophysical screening: Enzyme or receptor assays, thermal shift (DSF), SPR, ITC—using DMSO stock solutions and standardized controls.
• Cell-based assays: Phenotypic screens with careful titration of DMSO vehicle and cytotoxicity counterscreens.
• Analytical development: LC–MS method optimization (ionization mode selection, source parameters) using unknown analytes.
• Crystallography/NMR fragment-like workflows (if MW is low): Soak/soak-and-freeze approaches with solubility-limited dosing.

Practical tips:

• Verify purity and identity by LC–MS before committing to screening cascades; impurities can confound hits.
• Implement a tiered solubility and stability check (room temperature vs. 4 °C vs. −20 °C) for 1–2 weeks.
• Document assay interference risks (fluorescence/absorbance) by running vehicle-only and compound-only control wells across detection wavelengths.

For synthetic chemistry applications, see “Synthetic Utility”; feasibility depends entirely on the functional groups, which are not provided.

Reaction Conditions

No reaction conditions can be recommended for IAJD249 without structural and functional group information.

General guidance (non-item-specific, literature-based):

• Cross-coupling scenarios: Typical ranges include Pd catalysts (1–5 mol%), bases such as K3PO4/Cs2CO3, solvents like 2-MeTHF/CPME/MeCN/toluene, 60–110 °C, 2–16 h. Selection depends on aryl halide class and coupling partner.
• Reductive amination: Amine + carbonyl with NaBH3CN or NaBH(OAc)3 in MeOH/MeCN/DCE, 0–25 °C, 1–16 h, buffered to pH 5–6 for selectivity.
• Amide couplings: HATU/EDC/Oxyma/DIC in DMF/MeCN/2-MeTHF with base (DIPEA), 0–25 °C, 0.5–4 h.
• Nucleophilic substitutions/SNAr: Polar aprotic solvents (DMF/DMSO/MeCN), 25–100 °C, with appropriate bases/nucleophiles.

These are general literature ranges provided to frame planning once the structure is known. They are not specifications for this item. Always pilot at small scale and characterize intermediates.

Safety and Handling

Safety data provided for this item are minimal. Treat as an unknown small organic compound unless otherwise specified.

Item-specific safety information from Product Data:

• GHS signal word: Not specified for this item; refer to SDS.
• H-statements/GHS classification/pictograms: Not specified for this item; refer to SDS.
• Research Use: For research use only.
• Storage conditions: Store at −20 °C.
• Shipping: Ice chest with ice pads (cold chain).

General handling guidance (defer to SDS as primary source):

• PPE: lab coat, safety glasses, and disposable nitrile gloves. Handle powders/solid in a fume hood to avoid inhalation.
• Incompatibilities: Unknown; avoid strong oxidizers/reducers, acids/bases until compatibility is established. Do not heat in closed systems without prior characterization.
• Peroxide formation: Not applicable unless the compound is an ether/olefin (structure not disclosed). If stored in ethers, follow peroxide testing protocols for the solvent.
• First aid (general): Inhalation—move to fresh air; Skin/eyes—rinse with water for ≥15 min; Ingestion—rinse mouth, seek medical attention. Provide SDS to medical personnel.
• Spill response: Avoid dust; cover with inert absorbent, collect, and dispose per institutional guidelines. Decontaminate surfaces with suitable solvent, verifying compatibility.

Always consult the SDS specific to SKU I1440298 prior to first use.

Solvent Selection

Because structure and solubility are not disclosed, start with a tiered solvent strategy commonly used for small molecules.

General solvent strategy (practical workflow):

• Primary solvent for stocks: DMSO (aim for 10–50 mM master stocks). Filter through 0.2 µm PTFE if needed.
• Secondary screening: DMF, methanol, ethanol, acetonitrile, isopropanol, ethyl acetate, and water with 0.5–5% DMSO cosolvent.
• Aqueous work: If water solubility is limited, consider co-solvent systems (DMSO or EtOH ≤1% for biochemical assays) or cyclodextrins/surfactants at low levels where assay-compatible.

Polarity and miscibility (general references):

• DMSO and DMF: highly polar, aprotic, water-miscible; excellent for dissolving diverse chemotypes.
• MeOH/EtOH/iPrOH: protic, water-miscible; may hydrogen-bond and shift assay baselines.
• MeCN: polar aprotic with low viscosity and UV background.

When to choose alternatives:

• For chromatography or crystallization, select solvents based on observed retention and crystallinity (e.g., EtOAc/hexanes gradients; MeOH/DCM systems).

Small comparison (general):

• DMSO: best breadth of solubility; higher viscosity; possible assay interference above 1–2% v/v.
• MeCN: low UV cutoff, fast evaporation; may not dissolve highly lipophilic solids.
• EtOH: biocompatible at low %; can alter protein stability in biochemical assays.

Storage and Reconstitution

Item-specific conditions from Product Data:

• Storage Conditions: Store at −20 °C.
• Shipped In: Ice chest with ice pads (maintained cold chain).
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

General storage guidance for small-molecule library members:

• Upon receipt: Inspect packaging temperature; allow to equilibrate to room temperature in sealed container to avoid condensation before opening.
• Long-term storage: Keep tightly closed under dry, inert atmosphere if possible (desiccant recommended). Protect from light until photostability is known. Maintain at −20 °C as specified.
• Aliquoting: Prepare single-use aliquots to minimize freeze–thaw and headspace moisture. Label with concentration, solvent, and date.

Reconstitution (general, not item-specific):

• Preferred solvent: Anhydrous DMSO for master stocks (e.g., 10–50 mM). If aqueous use is needed, prepare fresh dilutions immediately before experiments.
• Solubility checks: If undissolved, try brief sonication and warming (≤40 °C). Do not heat above this until thermal stability is established.
• Stability: Periodically re-assess by LC–MS/HPLC after storage; discard if significant degradation or precipitation is observed.

Always refer to the item’s CoA/SDS for any additional, lot-specific handling instructions.

Structure and Identity

Overview for SKU I1440298 (catalog name: IAJD249). Current listing is part of our small-molecule/compound library category and is supplied for research screening and discovery workflows.

Item-specific identifiers (from Product Data):

• CAS: Not specified for this item; refer to CoA/Spec Sheet. (Provided string “I1440298” is a catalog SKU, not a CAS Registry Number.)
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.

Structural features:

• Functional groups, ring systems, stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

How to proceed without a disclosed structure (general guidance):

• If structure is required, request CoA/SDS or screening deck metadata from Aladdin Scientific customer support, citing SKU I1440298.
• If supplied unlabeled for blinded screens, treat as an unknown small molecule; document all observations (appearance, solubility, chromatographic behavior) in your ELN.

2D/3D depictions:

• Not available in the Product Data; please consult the CoA or request structural disclosure under your screening agreement if applicable.

Synthetic Utility

The functional groups and reactivity of IAJD249 are not disclosed; therefore, no item-specific synthetic roles can be claimed.

General considerations if used as a building block (contingent on structure disclosed in CoA):

• If halogenated aromatics/heteroaromatics: Potential for cross-couplings (Suzuki, Buchwald–Hartwig, Negishi, Kumada) under Pd/Ni catalysis.
• If carbonyl-bearing: Aldol, reductive amination, oxime/hydrazone formation, or nucleophilic additions depending on class (aldehyde/ketone/acid/ester/amides).
• If amine- or alcohol-containing: Acylation/alkylation, carbonate/carbamate/urea formation; Mitsunobu or SNAr where applicable.
• If acidic NH/CH: Metalation strategies (e.g., LDA, NaH) with electrophile trapping.

Practical workflow before synthetic use:

• Confirm structure and purity by NMR and HRMS; establish protecting group strategy if needed.
• Determine stability to base/acid/heat with small-scale scouting to avoid decomposition during coupling/manipulation.
• Record lot-to-lot variability; library members may have variable counterions/residual solvents affecting reactivity.

Target Specificity

Target/epitope specificity and biological target class are not provided for IAJD249 (SKU I1440298). As a library small molecule, it should be considered target-agnostic until screening identifies activity.

Item-specific details:

• Target, pathway, or selectivity profile: Not specified for this item; refer to screening metadata or CoA if available.

Guidance:

• If used in target-based assays, include appropriate positive/negative controls and orthogonal confirmation assays to avoid false positives due to assay interference or pan-assay interference compounds (PAINS).

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 I1440298, the molecular formula is C39H78N2O6, and the molecular weight is 671.05 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.