APOBEC3G-IN-1 - Moligand™, 10 mM in DMSO , CAS No.14261-92-8

CAS: 14261-92-8 Cat. No.: A1500925 Summenformel: C₁₅H₁₁NO₃ Molekulargewicht: 253.250

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Protected from light,Argon charged,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

APOBEC3G-IN-1 (MN136.0185) is a potent HIV inhibitor, targeting APOBEC3G.

Specifications

Spezifikationen & Reinheit

Moligand™, 10 mM in DMSO

Storage

Protected from light,Argon charged,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™

Aktionsart

INHIBITOR

Namen und Kennungen

Molekulargewicht

253.250

Application Protocols

No validated, item-specific application protocols are provided in the Product Data. The following generic workflow is offered as non-binding guidance for small-molecule screening.

Example workflow (general)

• Reconstitution: Prepare a 10 mM stock in anhydrous DMSO under low light. Vortex and, if necessary, sonicate briefly. Record exact concentration (qNMR or UV if appropriate).
• Aliquoting: Dispense single-use aliquots (10–50 μL) into amber tubes under inert gas. Freeze at −80°C.
• Plate setup: For a 384-well assay, add 25 μL of buffer per well. Using acoustic or pin tools, transfer compound to reach intended top concentration (e.g., 30 μM) and perform 1:3 serial dilutions across 10–12 points. Keep final DMSO ≤0.5% v/v.
• Controls: Include vehicle-only wells, and if available, an orthogonal control compound or heat-denatured enzyme control. Run detergent controls (0.01–0.05% Tween-20) to probe aggregation.
• Readout: Follow assay-specific readouts (fluorescence, absorbance, luminescence, LC–MS). Record Z′ factor and replicate variability.
• Data analysis: Fit concentration–response with a 4-parameter logistic model. Flag shallow/steep slopes and test for interference (inner-filter effect, redox activity) with appropriate counterscreens.

These steps are illustrative only and are not validated for this specific item.

Biological Roles

General background (biology; not item-specific efficacy)

• APOBEC3G (A3G) is a cytidine deaminase within the APOBEC family that catalyzes C→U deamination on single-stranded nucleic acids. It plays roles in intrinsic immunity, influencing retroelement restriction and viral genome editing, and can contribute to mutational processes in various biological contexts.
• Modulation of A3G activity in research helps dissect pathways of RNA/DNA editing, protein–RNA interactions, and nucleic-acid surveillance. Small molecules are often used as chemical probes to interrogate these functions in vitro and in cells.

Relevance of small-molecule modulators (general)

• Putative inhibitors or binders are typically evaluated first in biochemical deaminase assays, then in orthogonal biophysical assays to confirm direct engagement. Cellular assays may measure changes in editing signatures or downstream reporter signals.
• Off-target considerations include broader APOBEC family members (A3A, A3B, etc.), nucleic-acid intercalators, redox-active compounds, and colloidal aggregators; carefully control for these effects.

Important disclaimer

• The Product Data do not provide validated biological activity or selectivity for this item. The name “APOBEC3G-IN-1” suggests an intended application area, but no performance claims should be inferred. Users must generate their own activity/selectivity data under their specific assay conditions.

For research use only. Not for diagnostic or therapeutic applications.

Buffer Applications

This item is not a buffering agent. However, buffers are central to its likely use in biochemical assays. The following are general, non-item-specific guidelines.

• Common assay buffers: HEPES (20–50 mM, pH 7.4–7.5), Tris (20–50 mM, pH 7.5–8.0), or phosphate buffer (20–50 mM, pH 7.0–7.5), often with 100–150 mM NaCl to maintain ionic strength.
• Additives: 0.5–2 mM DTT or TCEP for redox control (if compatible), 0.01–0.05% Tween-20 to reduce nonspecific aggregation, 0.1% BSA to limit adsorption. Include Mg2+ or Zn2+ only if required by the assay design.
• DMSO tolerance controls: Titrate 0–1% DMSO in parallel wells to confirm that buffer composition maintains assay performance at your chosen solvent level.
• Filtration/degassing: Filter buffers (0.2 μm) and degas to improve optical stability and reduce bubble artifacts in plate readers.
• Plate-based work: Validate Z′ factor and signal window with your buffer system; minor changes in pH or surfactant can markedly alter enzyme kinetics and background.

Note: All compositions above are general literature practice and must be re-optimized for your target and readout. No item-specific buffer recipes are provided in the Product Data.

Green Alternatives

Because this item is a bioactive small molecule rather than a reaction solvent or bulk reagent, “green alternatives” mainly concern solvent choices and assay formats.

Greener handling options (general guidance)

• Prefer water-based assay buffers with minimal organic cosolvent. Target ≤0.1–0.5% v/v DMSO in final assay plates when solubility allows.
• Evaluate bio-based or lower-toxicity cosolvents where compatible: ethanol or glycerol (≤5% v/v) can sometimes replace higher levels of DMSO; validate for target compatibility.
• Minimize solvent volumes via miniaturized formats (384/1536-well plates) and acoustic dispensing to reduce waste and exposure.
• Use energy-efficient storage and sample management: aliquot to reduce freeze–thaw and dry-ice shipments. Coordinate batch testing to limit logistics.

Tradeoffs

• DMSO remains the most broadly effective solvent for hydrophobic libraries; reducing it may compromise solubility and assay performance.
• Ethanol and glycerol are generally greener but can alter membrane integrity or enzyme kinetics; confirm with controls.

Implementation tips

• Run a micro-solubility screen at various cosolvent ratios (e.g., 0.1–1% DMSO vs 1–5% ethanol) and track signal-to-background and Z′ factor to ensure assay quality while lowering environmental impact.

Pharmaceutical Uses

• Status: For research use only. Not for human or veterinary use, not for diagnostic procedures, and not manufactured under GMP.

Context (general information)

• Compounds like this are commonly employed as reference materials or exploratory chemical probes in early discovery. They may be used to benchmark assay performance, explore SAR, or as positive/negative controls once activity is established in-house.
• No pharmacopeial monograph or excipient role is indicated. There are no formulation specifications or dosage-form instructions in the Product Data.

Practical guidance

• If used as an internal reference standard, characterize the lot by LC–MS/HPLC purity and record exact concentration by qNMR or UV if a known ε is available (not provided here). Maintain traceable records of lot number and preparation.
• Avoid any implication of clinical utility; any translation beyond basic research would require comprehensive ADME, toxicology, CMC development, and regulatory oversight far outside the scope of this product.

Physical Properties

Item-specific physicochemical data were not provided in the Product Data. Do not use the following as specifications; consult the batch CoA/Spec Sheet.

• 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/logD, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice, not item-specific)

• Small-molecule screening compounds are commonly supplied as solids that are reconstituted in anhydrous DMSO at 10–50 mM for screening use.
• If water solubility is limited, cosolvents (DMSO, DMF, ethanol) or surfactants (e.g., 0.01–0.05% Tween-20) are typically used upon dilution into assay buffers.
• Light and oxygen sensitivity are implied by the storage instruction (protected from light, argon charged); minimize exposure during handling.

Always rely on the CoA for measured properties of the lot you receive.

Quality and Grades

• Grade: Moligand™ (from Product Data)

What Moligand™ typically implies (general explanation; not a specification)

• Moligand™ denotes a research-grade small-molecule suitable for ligand discovery and screening workflows. Lots are typically qualified by identity (e.g., NMR/LC–MS) and chromatographic purity appropriate for biochemical and cell-based assays. Exact acceptance criteria (e.g., % area by HPLC, residual solvents, salt form) are batch-dependent.

Item-specific quality information

• Purity level, stabilizers, counterion/salt form, water/metal/peroxide limits, and UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance and assay suitability tests: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance

• For HTS/secondary assays, prepare fresh DMSO stock and record lot number and preparation date. If low UV background is critical (e.g., HPLC/UV analytics), verify UV profile from the CoA or run a quick scan (200–400 nm) yourself.
• If you require orthogonal analytical confirmation (qNMR, HRMS), request the latest CoA or perform in-house verification on receipt.

Regulatory note

• For research use only. Not for human or veterinary use; not GMP. No pharmacopeial/compendial status is claimed unless explicitly stated on the CoA.

Reaction and Applications

This product is positioned as a small-molecule library member rather than a synthetic reagent. The focus is on its use in biochemical and cellular research assays. No activity data are provided in the Product Data; the following are general research applications and best practices.

• Biochemical target assays (general): Enzyme activity assays using purified protein with substrate turnover readouts (fluorescence, absorbance, LC–MS). Prepare a DMSO stock (e.g., 10 mM) and conduct concentration–response curves (10–12 points, 1:3 dilutions) to estimate potency metrics.
• Binding assays (general): Apply label-free biophysics (SPR, BLI, ITC, MST) to confirm direct target engagement and estimate KD/thermodynamics. Assess nonspecific aggregation via detergent controls.
• Cellular assays (general): Use CETSA or target engagement by thermal shift, NanoBRET/HiBiT systems, or pathway reporter assays for cellular validation. Titrate DMSO to ≤0.1–0.5% v/v in final wells.
• Orthogonal counterscreens: Include off-target panels or redox/reactivity artifacts (e.g., ALDH, thiol-reactivity, ROS) as appropriate to the target class. Use PAINS and aggregator filters as triage, followed by empirical confirmation.
• Analytical support: Monitor integrity by LC–MS before/after assays; watch for hydrolysis/oxidation if the vial is repeatedly warmed.

Note: Do not infer mechanism or specificity from the product name alone. Consult the CoA and generate in-house data to define suitability for your assay system.

Reaction Conditions

Chemical reaction conditions are not generally applicable to this product, which is positioned as a bioactive small molecule rather than a reagent. No item-specific reaction data are provided.

Alternative guidance (assay conditions; general, not item-specific)

• Stock preparation: 10–50 mM in anhydrous DMSO. Store single-use aliquots at −80°C, protected from light.
• Biochemical assays: Typical buffers 20–50 mM HEPES or Tris, pH 7.4–8.0; 100–150 mM NaCl; 0.01–0.05% Tween-20 if needed; temperature 20–30°C. Incubation 10–60 min depending on enzyme kinetics.
• Cellular assays: Final DMSO ≤0.1–0.5% v/v. Titrate compound across 8–12 concentrations. Include vehicle controls and, if available, orthogonal positive controls.
• Data quality: Monitor Z′ factor (>0.5 desirable) and perform triplicate technical replicates. Confirm hits with independent assay modality (e.g., enzymatic vs biophysical).

These conditions are literature practice and must be optimized for your specific target and readout. They are not specifications for this item.

Safety and Handling

Authoritative safety information must be taken from the product SDS. The following is general laboratory guidance based on the handling instructions provided.

• GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.
• Storage hazards implied by conditions: “Protected from light, Argon charged, Store at −80°C” suggests potential sensitivity to photooxidation and/or air/moisture; keep container tightly closed under inert atmosphere.
• PPE: Use lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Work in a fume hood to avoid inhalation of dusts/aerosols and to control solvent vapors when preparing stock solutions.
• Incompatibilities (general): Avoid strong oxidizers and reactive bases/acids unless compatibility is known. Prevent exposure to light and air; backfill vials with inert gas after use.
• First aid (general): In case of skin/eye contact, rinse with water for at least 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If swallowed, rinse mouth; do not induce vomiting unless directed by medical personnel. Seek medical attention for any exposure or persistent symptoms. Defer to SDS.
• Handling tips: Thaw only the amount needed; minimize freeze–thaw cycles. Use amber glassware or foil wrapping to limit light exposure. Filter solutions (0.2 μm) only if known to be stable and not prone to adsorption losses.
• Waste: Collect solutions and solids as organic hazardous waste per institutional and local regulations.

Solvent Selection

Item-specific solubility has not been provided; use the following as general guidance for small-molecule screening compounds.

• Primary stock solvent (general best practice): Anhydrous DMSO is the default for hydrophobic/hydrogen-bonding ligands; typical stock 10–50 mM. Filtered, water-free DMSO minimizes hydrolysis and enhances stability.
• Alternative organic solvents (general): DMF, acetonitrile, ethanol, isopropanol can be used depending on polarity and stability. Verify no acylation/transesterification risk in alcohols for labile chemotypes.
• Aqueous buffers: Direct dissolution in water or PBS may be poor for hydrophobic ligands. Dilute DMSO stocks into assay buffer to a final DMSO content ≤0.1–1.0% v/v (optimize per assay to avoid target/cell effects).
• Surfactants/additives: 0.01–0.05% Tween-20 or 0.1% BSA can mitigate aggregation and adsorption to plastics; confirm compatibility with the biological readout.
• Container considerations: Use amber vials to limit photolysis. For adsorption-prone molecules, prefer glass over polypropylene or pre-block plastics.

Quick comparison (general)

• DMSO: Highest solvency; may affect some enzymes/receptors above ~1–2% v/v.
• DMF/ACN: Good solvency; ACN more volatile, DMF hygroscopic.
• Ethanol/IPA: Biocompatible at low %; can change membrane permeability and enzyme activity.

Action items

• Perform a small-scale solubility screen (DMSO, ACN, EtOH, buffer + 0.01% Tween-20) and verify clarity by visual inspection and nephelometry if available.

Storage and Reconstitution

From Product Data

• Storage conditions: Protected from light, Argon charged, Store at −80°C.
• Shipping: Dry ice packs + Cold packs.

Item-specific reconstitution details (solvent, concentration, and stability) are not provided in the Product Data.

General guidance (not a specification)

• Upon receipt: Keep frozen. Allow the shipping container to warm to room temperature externally to prevent condensation, then transfer vials quickly to a −80°C freezer.
• Aliquoting: If supplied as a solid, split into small, single-use portions under inert gas to minimize headspace oxygen and moisture. If supplied as solution, maintain an inert blanket and avoid repeated thawing.
• Reconstitution: Prepare stock in anhydrous DMSO (e.g., 10–50 mM) in amber vials. Mix gently; brief sonication can aid dissolution. Optionally backfill vial with argon or nitrogen after use.
• Working solutions: Dilute into assay buffer immediately before use, keeping final DMSO ≤0.1–0.5% v/v as assay permits. Discard any turbid or precipitated solutions.
• Stability: In-use stability is assay- and structure-dependent. Without item-specific data, do not store thawed solutions; make fresh working dilutions each session.

Always consult the batch CoA and SDS for authoritative handling, stability, and safety information.

Structure and Identity

• Item: APOBEC3G-IN-1 (SKU: A1500925)
• CAS: 14261-92-8 (from Product Data)
• PubChem CID: 784235 (from Product Data)
• Grade: Moligand™ (from Product Data)
• 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 description

• Item-specific structural features (ring systems, heteroatoms, stereochemistry): Not specified for this item; refer to CoA/Spec Sheet.
• 2D depiction in words: Not available from the provided Product Data. As a small-molecule library member labeled “APOBEC3G-IN-1,” it is intended for target-focused screening; however, definitive functional groups and topology cannot be described without the structure.

Notes

• Identity confirmation should be based on batch-specific analytical data (e.g., NMR, LC–MS, HRMS, HPLC) provided on the Certificate of Analysis. Do not assume identity or stereochemistry from the name alone.
• If cross-referencing external databases (e.g., PubChem via CID), ensure the entry matches the exact CAS and supplier batch; discrepancies can exist between registry records and commercial lots.

Synthetic Utility

This product is supplied as a bioactive small molecule for screening; it is not positioned as a general-purpose synthetic reagent or building block in the Product Data.

• Reagent role: Not typically used as a stoichiometric reagent, catalyst, or protective group in organic synthesis.
• Transformations: Without a disclosed structure, no guidance can be provided on functional-group interconversions, cross-couplings, or derivatizations for this specific item.

General considerations (if derivatization is contemplated by the user)

• Confirm exact structure, functional groups, and stereochemistry from CoA and independent analytics before planning modifications.
• Evaluate stability toward common conditions (acid/base, reductants/oxidants, hydrogenation) on milligram scale prior to scale-up.
• If the goal is to generate probes (e.g., biotinylated, photoaffinity), plan linkers at positions shown to tolerate substitution via SAR; absent such data, proceed empirically with parallel synthesis.

Bottom line: Treat this material primarily as a research reference compound. For synthetic campaigns, procure or design suitable intermediates with known and robust synthetic handles.

Target Specificity

Only information explicitly present in the Product Data is provided here.

• Target/antigen name: Not specified for this item; refer to CoA/Spec Sheet.
• Species selectivity or cross-reactivity: Not specified for this item; refer to CoA/Spec Sheet.
• Mechanism of action, potency, or KI/IC50 values: Not specified for this item; refer to CoA/Spec Sheet.

Note: The product name (“APOBEC3G-IN-1”) suggests intended use in studies involving APOBEC3G, but no validated specificity or activity data are provided in the Product Data. Users should determine target engagement and selectivity experimentally in their assay systems.