AB-729 sodium , CAS No.2826248-50-2

CAS: 2826248-50-2 Cat. No.: A1419221 Formula: C₅₀₂H₆₄₀F₆N₁₆₂Na₃₈O₃₀₃P₃₈S₆ Peso molecolare: 16148.44

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

AB-729 sodium is a siRNA specifically designed to inhibit viral replication and reduces HBV antigens. AB-729 conjugates to a trimer of N-acetylgalactosamine (GalNAc) ligand that promotes uptake into hepatocytes via the asialoglycoprotein receptor (ASGR).

Specifications

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nomi e identificatori

Peso molecolare

16148.44

Application Protocols

No tested application protocols are provided for this product by the manufacturer. If using in screening or assay development, standard small-molecule handling practices apply: prepare a concentrated DMSO stock, perform serial dilutions maintaining constant vehicle percentage, verify solubility/clarity at the working concentration, and include appropriate vehicle and positive/negative controls. These are general recommendations and not product-specific validations.

Biological Roles

• Endogenous role: None established. AB-729 sodium is provided as a research chemical; no endogenous biochemical role is claimed or implied. • Mechanistic/target context: Not specified for this item; the product data include no target, pathway, or mechanism information. Any biological function must be established empirically by the user. • Experimental considerations (general):

• Confirm stability in the intended biological matrix (buffer, serum-containing media) by LC–MS over the assay timeframe.
• Assess nonspecific binding to plastics and serum proteins; include vehicle controls, matrix blanks, and recovery experiments.
• For putative ionizable compounds/salts, evaluate activity across physiologically relevant pH (6.5–7.8) and ionic strength to ensure observed effects are not formulation artifacts. • ADME profiling in research settings (general): In vitro solubility, permeability (e.g., PAMPA/MDCK), microsomal stability, and protein binding can be profiled to support hypothesis-driven studies; these are not product specifications and should be generated in-house. • Compliance note: For research use only. No medical, diagnostic, or therapeutic use is expressed or implied.

Buffer Applications

This product is not described as a buffering reagent. However, reconstitution and dilution often involve aqueous buffers; the following guidance is general and not item-specific. • Buffer choice for stock dilution (general):

• Phosphate (PBS, pH ~7.2–7.4) for routine biological assays.
• HEPES (pH 7.0–7.6) for better pH control in CO2-independent systems.
• Citrate (pH 3–6) or Tris (pH 7–9) if solubility is pH-dependent. • Practical steps:
• Prepare a concentrated DMSO stock, then dilute into buffer with vigorous mixing to a final DMSO content ≤0.5–1% v/v.
• If precipitation occurs, add co-solvent (e.g., 5–10% ethanol or acetonitrile) or adjust pH within acceptable assay limits.
• Filter through 0.22 µm if particulate persists and the compound is not adsorbed by the membrane. • Do not treat this compound as a primary pH buffer unless its acid/base properties are known. No pKa or buffering capacity is provided for this item.

Green Alternatives

When preparing solutions for screening or analytical work, consider greener solvent choices where compatible with your assay and the compound’s solubility profile. • Preferred hierarchy (general, from green chemistry guidance):

• Water/buffer (best), then bio-based/protic solvents (ethanol, isopropanol), then acetonitrile/acetone/ethyl acetate, with DMSO as a commonly necessary but acceptable choice for stock solutions. • Practical replacement strategies:
• Replace DMF/NMP with DMSO or 2-methyltetrahydrofuran (2-MeTHF) where feasible.
• For reversed-phase LC sample prep, use aqueous acetonitrile or ethanol in place of chlorinated solvents. • Trade-offs to evaluate: Solubility, assay interference, volatility, and safety.

Comparison (general guidance): | Solvent | Green profile | Notes | |---|---|---| | Water/buffer | Excellent | Non-flammable; depends on ionization/solubility. | | Ethanol | Good | Renewable; may affect some assays/cells. | | Isopropanol | Good | Higher solvating power than EtOH; slower evaporation. | | Acetonitrile | Moderate | Widely used in LC; toxic; good for quench/precipitation. | | DMSO | Moderate | High solvency; low volatility; can affect biology at >1% v/v. | | DMF/NMP | Poor | Reprotoxic; avoid when possible. | Select the least hazardous solvent meeting performance requirements; document final solvent composition in reports/ELNs.

Pharmaceutical Uses

• Regulatory/monograph status: Not specified for this item; there is no pharmacopeial information provided. • Role in formulation (general guidance for research-stage compounds):

• Sodium salts are commonly prepared to improve aqueous solubility, enable pH-adjusted dosing solutions, or enhance solid-state stability; whether these benefits apply here is not specified.
• For preformulation research, assess polymorphism/amorphous content (PXRD/DSC), hygroscopicity (DVS), and salt stability across RH/temperature. • Excipient compatibility (research setting): Evaluate compatibility with common vehicles (saline, 5% dextrose, buffered solutions) and with co-solvents (PEG 400, ethanol, propylene glycol) as needed for solution enablement. Document osmolality and pH. • Sterile applications: If sterile solutions are required for in vitro work, filter-sterilize using low-binding 0.22 µm membranes; verify recovery and adsorptive losses. • Important disclaimer: No therapeutic or clinical claims are made for this product. It is supplied strictly for research use only and is not intended for human or veterinary administration.

Physical Properties

Item-specific properties below are not provided and should be confirmed on the CoA/Spec Sheet for your lot: • Appearance: Not specified for this item; refer to CoA/Spec Sheet. • Melting point / boiling point: Not specified for this item; refer to CoA/Spec Sheet. • Density / refractive index: Not specified for this item; refer to CoA/Spec Sheet. • Solubility: Not specified for this item; refer to CoA/Spec Sheet. For handling, many discovery compounds are initially dissolved in anhydrous DMSO to prepare concentrated stocks; aqueous solubility then can be assessed by dilution into buffer with gentle mixing. • LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet. • Hygroscopicity: Not specified for this item; inspect material upon receipt and handle under low humidity if a sodium salt or amorphous solid is suspected. Guidance (general/literature practices): • Solubility screening can be conducted across DMSO, DMF, ethanol, acetonitrile, isopropanol, and water/buffer (pH 2–10). Determine kinetic vs thermodynamic solubility via shake-flask and nephelometry. • pKa (if ionizable) can be measured by potentiometric titration or UV-metric methods; logD by shake-flask or LC retention time correlation. • Thermal behavior can be characterized by DSC/TGA to set appropriate drying and storage conditions. Label all such values as in-house data; they are not product specifications.

Quality and Grades

• Grade/purity: Not specified for this item; refer to CoA/Spec Sheet. • What to expect on the CoA (general): HPLC/UPLC purity with detection wavelength(s), LC–MS identity confirmation, and, when applicable, 1H NMR. Water or residual solvent content may be reported by KF or GC. Specific assay conditions vary by scaffold. • Interpreting typical discovery compound metrics (general guidance):

• Chromatographic purity (area%): Common acceptance for screening is ≥95% by one or more methods; confirm method details (gradient, wavelength) before comparing across suppliers.
• Identity: HRMS within acceptable ppm error; isotopic pattern match if halogens/metals present.
• Counterion/stoichiometry: If supplied as a sodium salt, the counterion ratio may be determined by ICP-OES or quantitative NMR. • Stabilizers: None specified for this item. If stabilizers are present, they will be listed on the CoA/SDS; assess assay compatibility accordingly. • Suitability by use-case (guidance):
• Primary screening: Purity sufficiency often ≥90–95% with confirmed identity.
• Mechanistic/biophysical work: Consider additional orthogonal purity checks (2nd HPLC method, NMR) and impurity profiling.
• Reference standard: Consider quantitative purity assessment (qNMR) and defined water/solvent content. Always defer to the item-specific CoA/Spec Sheet for your lot; do not treat literature or general expectations as specifications.

Reaction and Applications

Manufacturer applications: Not provided for this item. In the absence of target-specific claims, AB-729 sodium is best treated as a research compound intended for screening and discovery workflows. Typical research applications for catalog discovery compounds (general guidance): • High-throughput screening (HTS) and fragment/compound-library screening against enzymatic or cellular assays. Prepare DMSO stocks (e.g., 10 mM), perform serial dilutions, and maintain constant DMSO% across wells. • Mechanistic biochemistry and biophysics: Evaluate binding/engagement by thermal shift (DSF), SPR, MST, NMR, or CETSA as appropriate. • Cell-based phenotypic assays: Titrate across a broad range (e.g., 10 pM–100 µM) while monitoring solubility and cytotoxicity controls. • Analytical reference: Use as a positive/benchmark control in internal workflows once activity is established in-house; confirm identity by LC–MS before use. Practical considerations: • Solubility management: Warm gently (≤40 °C) and sonicate; avoid excessive heating that may degrade labile motifs. • Adsorption losses: Pre-rinse plasticware with dilute DMSO or add carrier protein (e.g., 0.1% BSA) if nonspecific binding is observed; validate compatibility with your assay. • Light/oxygen sensitivity (unknown here): Store aliquots under inert gas and amber vials until stability is established. Note: No biological or clinical activity is claimed by the manufacturer; all use is strictly for research and method development.

Reaction Conditions

Item-specific reaction conditions are not applicable because the product is offered as a ready-to-use research compound rather than a reagent for a defined transformation. General guidance if you need to manipulate the compound chemically (derivatization, salt exchange): • Salt exchange/neutralization (if sodium form): Treat with an ion-exchange resin (H+ form) or acidify (aqueous or biphasic) to obtain the free acid, then re-salt with the desired counterion. • Couplings: If a carboxylate is present, convert to the free acid and employ standard peptide/carbodiimide couplings (EDC/HOBt, HATU) or acid chloride formation under mild conditions; if an amine is present, use amide coupling with base control. • Temperatures/solvents: Use polar aprotic solvents (DMF, DMSO, MeCN) for polar substrates; maintain inert atmosphere if any oxidation-prone motifs are suspected. Start at ambient temperature and escalate cautiously while monitoring by LC–MS. • Workup: For highly polar products, rely on aqueous workups with careful pH control, followed by lyophilization or reversed-phase purification. These are general laboratory practices and are not product specifications; confirm the actual structure and functional groups before any chemical modification.

Safety and Handling

• GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to the SDS for authoritative safety information. • General precautions for research chemicals of unknown hazard profile:

• Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves; handle in a fume hood to avoid inhalation of dust/aerosols.
• Avoid contact with skin/eyes; prevent ingestion and inhalation.
• Use dedicated tools for weighing to minimize exposure and cross-contamination. • Storage incompatibilities (general): Keep away from strong oxidizers and strong acids/bases unless compatibility is known. If the material is a sodium salt, avoid exposure to acidic vapors that may alter counterion state. Protect from moisture if hygroscopic. • Peroxide formation: Not expected unless dissolved in susceptible ethers; nevertheless, use fresh peroxide-free solvents for precision assays. • First-aid overview (consult SDS):
• Inhalation: Move to fresh air; seek medical attention if symptoms persist.
• Skin/eye contact: Rinse with water for several minutes; remove contaminated clothing; obtain medical advice as needed.
• Ingestion: Rinse mouth; do not induce vomiting; seek medical attention. • Spill response: Avoid dust formation; contain and collect using inert absorbent; dispose per institutional and local regulations. • Fire safety: Use CO2, dry chemical, or foam as appropriate to surrounding materials. • Research use only: Not for human or veterinary use.

Solvent Selection

Because structure and ionization state are not provided, solvent selection should follow a pragmatic screening approach: • Primary stock solution strategy:

• Start with anhydrous DMSO (analytical grade) at 10–50 mM; vortex and sonicate as needed.
• If DMSO is unsuitable for your assay, evaluate DMF or NMP (with caution) or greener options like ethanol or aqueous buffer if soluble. • Miscibility and dilution into assay buffers:
• For aqueous assays, target a final DMSO content ≤0.5–1.0% v/v to minimize biological interference.
• Use co-solvent approaches (e.g., 5–20% acetonitrile or ethanol in buffer) if precipitation occurs. • If the material is a sodium salt and ionizable:
• Aqueous solubility may improve at pH values favoring the ionized form. Screen pH 3–10 using citrate, phosphate, and Tris buffers. • Dielectric/polarity considerations (general):
• Polar aprotics (DMSO, DMF, MeCN) maximize solubilization of polar and moderately lipophilic scaffolds.
• Protic solvents (MeOH, EtOH, i-PrOH) can help for H-bonding solutes and enable greener handling. • Practical tips:
• Filter or centrifuge turbid solutions to remove particulates before use.
• Record solvent lot, water content, and final cosolvent percentage for reproducibility.
• For light- or air-sensitive compounds (unknown here), prepare fresh aliquots under inert gas and protect from light.

Storage and Reconstitution

• Storage conditions (from Product Data): Store at −20 °C. Shipments are sent in an ice chest with ice pads to maintain a cold chain. • Handling on receipt: Allow the sealed container to equilibrate to room temperature before opening to minimize moisture condensation. Reseal promptly under dry conditions; consider desiccation if hygroscopic. • Stability: Item-specific stability data are not provided. Until established in-house, minimize freeze–thaw cycles by preparing single-use aliquots. • Reconstitution (general guidance; not a specification):

• Start with anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM). Mix thoroughly and, if needed, sonicate gently.
• If aqueous use is desired and the compound is sufficiently soluble, dilute the DMSO stock into buffer with vigorous mixing to keep final DMSO ≤0.5–1% v/v. Adjust pH only within the tolerance of your assay system.
• For purely aqueous dissolution (if feasible), use degassed, filtered buffer; consider mild heating (≤40 °C) and pH optimization. • Filtration: If particulate persists, pass through a 0.22 µm low-binding filter and confirm recovery. • Documentation: Record solvent lot, concentration, and preparation date; label aliquots clearly. • Research use only: Not for human or veterinary use.

Structure and Identity

• Product name: AB-729 sodium (SKU: A1419221) • CAS: 2826248-50-2 • Category: Small molecules and compound libraries (manufacturer category path) • 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 (general note): The product name indicates a sodium form (salt) of AB-729. Exact scaffold, functional groups, and stereochemistry are not provided in the current product data; please consult the CoA/Spec Sheet for authoritative structure identifiers. • 2D description (general): Without a provided structure, a descriptive 2D depiction cannot be supplied. If you require structural confirmation, we recommend obtaining the vendor CoA and, for internal verification, acquiring orthogonal identity data (HRMS, 1H/13C NMR, and, if applicable, ion-pair HPLC or LC–MS).

Synthetic Utility

Given its listing as a compound-library member and the absence of structural information, AB-729 sodium is not positioned primarily as a synthetic building block in this catalog entry. General considerations if derivatization is contemplated by the user: • Unknown functionality: Without a disclosed structure, reactive handles (halides, heterocycles, amines, acids) are not known; perform a small-scale reactivity probe before committing resources. • Salt form implications: If indeed a sodium salt (as the name suggests), neutralization or ion-exchange may be required prior to certain transformations (e.g., esterifications from carboxylate salts, or coupling reactions sensitive to inorganic cations). • Purification: For polar/ionic compounds, reversed-phase chromatography or ion-exchange may outperform normal-phase methods. Track counterion content by ICP or ion chromatography if relevant. • Stability: Establish sensitivity to acid/base, heat, and oxidants before attempting multi-step sequences; consider protecting-group strategies informed by preliminary stress testing. • Reference use: The compound may serve as a comparator or internal standard in SAR campaigns once identity and purity are verified in-house.

Target Specificity

No target, pathway, or binding specificity information is provided for this item. The manufacturer does not supply data on molecular targets, selectivity panels, or mechanism. Users should generate their own target engagement and selectivity profiles as needed for research purposes.