DSR-6434 - Moligand™, 10 mM in DMSO , CAS No.1059070-10-8

CAS: 1059070-10-8 Cat. No.: D1494362 Fórmula: C₁₉H₂₈N₈O₂ Peso molecular: 400.48

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

DSR-6434 is a potent and selective Toll-like receptor 7 ( TLR7 ) agonist, with EC 50 s of 7.2 nM and 4.6 nM for human and mice TLR7 , respectively. DSR-6434 has a strong antitumor effect .

Specifications

Especificações e pureza

Moligand™, 10 mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

AGONIST

Nomes e identificadores

• SMILES isoméricas: CCCCNC1=NC(=C2C(=N1)N(C(=O)N2)CC3=CN=C(C=C3)OCCN(C)C)N
• Peso molecular: 400.48
• Reaxy-Rn: 19736639
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19736639&ln=

Application Protocols

Validated, item-specific application protocols are not provided in the Product Data for this catalog entry.

• Tested applications and recommended working concentrations: Not specified for this item; refer to CoA/Spec Sheet.

General workflow suggestions (informational, non-validated):

• Prepare aliquoted DMSO stock solutions at a convenient concentration for serial dilution. Avoid repeated freeze–thaw cycles.
• Include appropriate vehicle controls and, where possible, a reference ligand in your assay format to benchmark performance.
• Verify absence of precipitation upon dilution into aqueous buffers or media; adjust solvent fraction if necessary within the tolerance of your system.
• For plate-based assays, consider using randomized layouts or edge-well controls to mitigate positional biases.

Please consult your internal SOPs and perform pilot titrations to establish assay-specific conditions.

Biological Roles

Context from scientific literature (general; not item-specific claims):

• DSR-6434 is reported as a small-molecule modulator of innate immune signaling, often discussed in the context of Toll-like receptor (TLR) pathways, with activity profiles centered on endosomal pattern-recognition mechanisms. Studies describe pathway activation culminating in transcriptional programs involving NF-κB and interferon-stimulated genes via adaptor proteins such as MyD88.
• In cellular systems, such ligands are commonly evaluated for their capacity to induce cytokine/chemokine signatures and type I interferon responses, dependent on cell type (e.g., plasmacytoid dendritic cells vs. monocytes) and species.
• Selectivity across homologous receptors and species orthologs is an important consideration; researchers typically verify on-target action using genetic or pharmacologic loss-of-function controls.

Practical implications for research:

• Suitable as a tool compound for dissecting innate immune signaling cascades, benchmarking assay sensitivity, and studying downstream transcriptional networks (e.g., IRF/NF-κB reporters, phospho-protein dynamics).
• When comparing to other reference ligands, normalize for assay format, cell line expression levels, and endosomal trafficking, which can strongly influence apparent potency.

Note: No therapeutic or clinical claims are made. Use is restricted to laboratory research, and activity, potency, and selectivity should be verified in the user’s own system.

Buffer Applications

This product is a small-molecule research ligand and is not a buffering agent. Therefore, conventional buffer preparation (pH control, ionic strength) does not apply.

Practical note for assay buffers:

• Prepare working solutions by diluting DMSO stocks into your assay buffer of choice (e.g., PBS, HBSS, or serum-containing media) while keeping vehicle percentage low to avoid solvent effects. Confirm compound stability and solubility in the chosen buffer by a small pilot test.
• If adsorption to plastics is suspected, pre-wet tips and tubes with buffer containing the final DMSO concentration, or consider low‑bind labware.

Green Alternatives

Because this product is offered as a bioactive small-molecule ligand rather than a process solvent or bulk reagent, conventional “green solvent” substitution does not directly apply.

Nevertheless, greener practices around its use can be implemented:

• Minimize DMSO volumes in assays (e.g., final ≤0.5% v/v) to reduce solvent waste and cytotoxicity risk.
• Use miniaturized assay formats (384–1536 well) to reduce compound and solvent consumption.
• Employ sealed microplates and low‑temperature storage to extend stock solution life and reduce the need for frequent remakes.
• Implement solvent recovery (where feasible for analytical runs) and segregate halogenated vs non‑halogenated waste streams.

Comparison (contextual):

• DMSO vs DMF: DMSO is generally considered the greener choice for stock solutions due to lower toxicity and better biodegradability relative to DMF.
• Ethanol/aqueous co‑solvents: Greener but may be limited by compound solubility and assay tolerance.

For process-scale or synthetic applications (if any): evaluate industry green-chemistry guides (e.g., CHEM21, ACS GCI) for solvent selection should you repurpose this compound in chemistry workflows.

Pharmaceutical Uses

No pharmacopeial or excipient role is provided for this catalog item. It is supplied strictly for laboratory research use.

Context (general, non-clinical):

• Compounds of this class are commonly employed as reference ligands in discovery biology, including target validation, SAR benchmarking, and assay development. Any use in formulation development, preformulation studies, or in vivo research should be preceded by thorough qualification of identity, purity, and stability and must comply with institutional and regulatory requirements.

Regulatory note:

• This product is labeled For research use only; it is not intended for human or veterinary use, diagnostic applications, or as an active pharmaceutical ingredient (API).

Physical Properties

Item-specific physicochemical specifications have not been provided in the Product Data.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (mp): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (bp): Not applicable/unknown for a solid research ligand; 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, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice; not item specifications):

• Small-molecule ligands of this class are commonly formulated as concentrated stock solutions in high-purity DMSO for screening applications. Aqueous working solutions are often prepared by serial dilution into assay buffer containing a small percentage of DMSO (e.g., ≤0.5–1%) to maintain solubility while minimizing vehicle effects. Always perform a small-scale solubility check with your specific assay matrix.
• If aqueous solubility is limited, co-solvent systems (DMSO→buffer), or surfactant-containing buffers (e.g., 0.01–0.05% nonionic surfactant) are sometimes used in discovery assays; verify compatibility with your readout.

Quality and Grades

• Grade/Purity: Moligand™ (as provided in Product Data)

What Moligand™ implies (general program description; not a purity spec):

• The Moligand™ designation identifies compounds curated for use as small-molecule ligands in discovery biology (e.g., target engagement, pathway modulation, cell-based screening). This often emphasizes traceability of identity and suitability for research assays rather than chromatographic solvent grades or bulk synthetic reagents.
• Item-specific purity, stabilizers, counter-ions, and residual solvent limits are not specified for this item; refer to CoA/Spec Sheet.

Practical expectations and recommendations:

• For SAR or screening, verify identity/purity by orthogonal methods where mission-critical (e.g., LC–MS, HPLC/UPLC area%, HRMS, NMR).
• If UV transparency or fluorescence background is relevant to your assay, evaluate lot-specific background signals in your detection window.
• Request the Certificate of Analysis (CoA) for the lot you will receive to obtain exact purity, analytical method, and any handling notes (e.g., hygroscopicity, light sensitivity).

Comparison to common chemical grades (context):

• Unlike “AR/HPLC/GC” solvent grades that focus on low background for analytical techniques, Moligand™ items prioritize utility as bioactive ligands. Use-case dependent qualification (e.g., endotoxin, bioburden) is not implied unless explicitly stated in the CoA.

Reaction and Applications

This compound is supplied as a research ligand and is not typically employed as a stoichiometric reagent or catalyst in synthetic chemistry.

Use-context (general research applications; literature-based, not item-specific validation):

• Utilized as a tool compound for modulation of innate immune signaling in cell-based assays, reporter gene systems, and biochemical pathway studies. It serves to probe downstream events such as NF-κB activation or interferon-related transcriptional responses where appropriate assay platforms are in place.
• Can function as a reference control in screening campaigns evaluating pathway activity, structure–activity relationships (SAR), or antagonist profiling, provided orthogonal readouts (e.g., qPCR of pathway markers, luminescent reporters) are used to confirm on-target effects.

Practical tips:

• Establish a vehicle control series and include plate-position controls to account for edge effects when using DMSO stocks.
• For dose–response experiments, prepare serial dilutions fresh and verify absence of precipitation after buffer addition (turbidity check or nephelometry).
• Where applicable, confirm activity in multiple models (e.g., engineered reporter lines and primary cells) to deconvolute cell-line–specific responses.

Note: If you require this compound for chemical synthesis rather than as a ligand, please contact us for availability of additional analytical details and compatibility data.

Reaction Conditions

Not typically applicable. This product is supplied as a research ligand rather than a reagent for chemical transformations, so standardized synthetic reaction conditions are not provided.

General guidance for biological assay preparation (informational; not item-specific specifications):

• Prepare concentrated DMSO stocks and dilute into assay media immediately before use to minimize degradation risk.
• Maintain consistent vehicle concentration across controls and treatments.
• For long experimental timelines, assess stability in the assay matrix (e.g., incubate at 37°C in media and monitor by LC–MS or activity readout).

For any chemistry workflows you may explore with this compound, please consult the CoA/Spec Sheet for stability notes and perform pilot experiments to establish compatible conditions.

Safety and Handling

Safety information specific to this catalog item is not provided in the Product Data and should be obtained from the SDS.

• GHS Classification / Signal Word / Hazard Statements / Pictograms: Not specified for this item; refer to SDS.
• Primary risk domain: Research-use small molecule; handle as a potentially harmful chemical even in absence of classified hazards.

Good laboratory practice (general guidance; defer to SDS):

• PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use in a chemical fume hood to avoid inhalation of powders or aerosols.

• Avoid: Skin/eye contact, inhalation of dust, ingestion. Prevent cross-contamination of screening libraries.

• Incompatibilities: Unknown for this specific item; as a precaution, segregate from strong oxidizers/reductants and acids/bases until compatibility is known.

• First aid (overview): In case of contact, rinse affected area with water for at least 15 minutes. If inhaled, move to fresh air. If ingested, rinse mouth and seek medical attention. Always consult the SDS for detailed instructions.

• Waste: Dispose according to institutional hazardous chemical waste procedures; do not release into drains.

• Storage risk controls: See Storage & Reconstitution tab; maintain at the recommended ultra-low temperature and minimize freeze–thaw cycles.

Solvent Selection

Item-specific solubility data are not provided; select solvents based on small-scale screening with your assay matrix.

General guidance for small‑molecule ligand handling (literature/practice; not item specifications):

• Primary stock solvent: Anhydrous, cell-culture–compatible grade DMSO is typically preferred for preparing concentrated stocks (e.g., 10–50 mM), enabling accurate microvolume dosing. Filter if needed (PTFE) and store aliquots at ultra‑low temperature.
• Aqueous compatibility: For biological assays, dilute DMSO stocks into buffered saline systems (e.g., PBS, HBSS, assay-specific buffers) while keeping final DMSO ≤0.5–1% v/v to limit vehicle effects. Confirm precipitation visually or by light scattering.
• Alternative solvents (if required): DMF, ethanol, or PEG400:water co‑solvent systems can aid solubility, but assess cytotoxicity and assay interference carefully. For purely chemical studies, acetonitrile or methanol may be suitable depending on compatibility.
• pH effects: Without item-specific pKa data, assume potential ionization-state sensitivity; evaluate solubility across the assay pH range (e.g., pH 6.5–7.5 for cell-based work).

Quick comparison (general):

• DMSO: maximal solubilizing power; biological tolerance at low %; potential assay interference at higher %.
• Ethanol: easier evaporation; lower solubilizing capacity; cytotoxic above modest %.
• Aqueous buffers: preferred for final assays if compound remains in solution; may require co-solvent or surfactant.

Storage and Reconstitution

Item-specific storage conditions are provided; reconstitution details are not.

• Storage Conditions (from Product Data): Store at −80°C.
• Shipping (from Product Data): Shipped on dry ice packs + cold packs to maintain the ultra‑low temperature chain.

General guidance (good practice; not item specifications):

• Upon receipt, transfer immediately to a −80°C freezer. Allow the container to equilibrate to room temperature in a desiccated environment before opening to prevent condensation.

• If supplied as a solid: prepare DMSO stock solutions under dry conditions, aliquot into low‑bind, airtight microtubes, and return promptly to −80°C.

• If supplied in solution: keep tightly sealed; aliquot to minimize freeze–thaw cycles. Avoid repeated bench warming; use chilled racks when possible.

• Protect from moisture and light unless the CoA indicates otherwise. Label aliquots with concentration, solvent, lot, and preparation date.

• Reconstitution: Not specified for this item; refer to CoA/Spec Sheet.

Research Use Note: For research use only.

Structure and Identity

Brief summary: This product is offered as a small-molecule ligand in our Moligand™ collection; detailed identifiers are not provided in the item data.

• Product Name: DSR-6434
• SKU: D1494362
• CAS: 1059070-10-8
• PubChem CID: 25071151 (literature database identifier)
• 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 (general literature context, not item-specific):

• DSR-6434 is reported in the literature as a small-molecule immune receptor modulator. Detailed atom connectivity, stereochemistry, and functional group annotation should be confirmed from primary literature or the CoA/Spec for this catalog item.

Notes for users:

• If you require exact structure (2D/3D), spectral data, or identifiers for cheminformatics registration, please request the current CoA/Specification Sheet associated with your lot.

Synthetic Utility

This item is not positioned as a synthetic reagent or building block in the Product Data. Accordingly, conventional synthetic utility (e.g., functional group interconversions, coupling reactivity) is not a primary application.

If you intend to use it in chemical synthesis or method development:

• Obtain the full structural information (SMILES/InChI, functional group map) from the CoA/Spec Sheet or primary literature before planning reactions.
• Verify stability to intended conditions (acid/base, oxidation/reduction, heat, photolysis) by small-scale trials and analytical follow-up (LC–MS, NMR).

For most users, the relevant content will be in the Biological Roles and Application Protocols sections rather than synthetic transformations.

Target Specificity

Target-specific details (e.g., target name, selectivity profile, species reactivity, binding constants) are not provided in the Product Data for this catalog item.

• Item-specific target information: Not specified for this item; refer to CoA/Spec Sheet and primary literature.
• Users are encouraged to verify target engagement in their own system using appropriate controls (e.g., genetic knockdown/knockout, orthogonal assays).