BIO8898 - Moligand™, 10 mM in DMSO

Cat. No.: B1495455

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

BIO8898 is a potent CD40-CD154 inhibitor. BIO8898 inhibits soluble CD40L binding to CD40-Ig with an IC 50 value of 25 µM. BIO8898 inhibits CD40L-induced apoptosis.

Specifications

Specifications & Purity

Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Application Protocols

Tested applications and recommended conditions are not provided for this item. The following are general, non-item-specific suggestions for handling small-molecule screening compounds.

• Stock preparation: Prepare a concentrated DMSO stock (e.g., 10–50 mM) once solubility is verified. Filter through a PTFE membrane if particulate persists. Record exact concentration by weight-in or quantitative NMR if precision is required.
• Plate preparation: Use acoustic or pin-tool transfer for nanoliter dosing; include vehicle controls and plate randomization to minimize positional effects.
• Assay setup: Maintain final DMSO typically ≤0.5–1% v/v. Run full concentration–response (8–10 points, 3–4× replicates) and include orthogonal counterscreens to identify assay interference.
• Data QC: Monitor Z’ factor, Hill slopes, and replicate CVs; repeat outliers and confirm with fresh aliquots.

Item-specific validated applications, dilutions, and positive controls: Not specified for this item; refer to CoA/Spec Sheet.

Biological Roles

Item-specific biological function, pathway engagement, or target information for BIO8898 is not provided in the product data.

General context for screening compounds

• Role in discovery: Such compounds are typically employed as chemical probes or starting points in ligand discovery, enabling interrogation of protein function, pathway mapping, and phenotype modulation in vitro.
• Orthogonal confirmation: Hits should be validated with complementary assay modalities (biochemical vs biophysical vs cellular) and, where feasible, with inactive analogs or target-mutant controls to substantiate on-target effects.
• ADME/physicochemical exploration: Early evaluation of solubility, permeability, and stability assists in determining suitability as a probe. Any ADME properties for BIO8898 are not specified.

Caution

• No claims of biological activity, selectivity, or mechanism can be made for this item based on the provided data. Please refer to the CoA, technical note, or primary literature (if available for the same identifier) for detailed biological characterization.

Buffer Applications

This product is a small-molecule screening compound and not a buffering agent. Consequently, it is not typically used to prepare or maintain pH buffers.

Practical notes (general)

• If dissolution into aqueous buffers is required for assays, use a DMSO stock solution and dilute into the target buffer while keeping final DMSO ≤1–2% v/v to minimize effects on biological systems.
• Include non-ionic surfactant (e.g., 0.01–0.05% Tween 20) if aggregation or adsorption is suspected.

Item-specific buffer compatibility, pH stability ranges, and ionic-strength effects: Not specified for this item; refer to CoA/Spec Sheet or perform a small compatibility screen.

Green Alternatives

Because BIO8898 is a discrete screening compound rather than a process solvent or auxiliary reagent, “green alternatives” are generally not applicable in the same sense as for solvents or bulk reagents.

Practical green chemistry considerations for screening compounds (general)

• Solvent choice: Prefer DMSO and water-based assay buffers over halogenated solvents; keep cosolvent percentages minimal without compromising solubility.
• Miniaturization: Use low-volume plates (384/1536-well) to reduce solvent and compound consumption.
• Waste management: Segregate DMSO-rich liquid waste and dispose of according to institutional and regulatory requirements; avoid unnecessary dry ice shipments by coordinating batch orders when feasible.
• Stability/aliquoting: Prepare single-use aliquots to minimize waste from degradation or multiple freeze–thaw cycles.

If the compound is to be used in synthetic follow-up, consult green solvent selection guides (e.g., CHEM21, GSK, ACS GCI) to select greener media for any derivatization steps. No item-specific greener substitute exists for BIO8898.

Pharmaceutical Uses

This product is supplied strictly for research use only and is not intended for human or veterinary use, diagnostics, or clinical applications.

Formulation/CMC context (general, non-clinical)

• Discovery-phase studies sometimes assess compound solubility in excipient systems (e.g., Captisol, PEG/propylene glycol co-solvents) for in vivo research. No such formulation data are provided for BIO8898.
• Compendial status (USP/Ph. Eur./JP) and excipient roles: Not specified for this item; refer to CoA/Spec Sheet.

Any therapeutic claims, dosage forms, or clinical indications are outside the scope of this product and are not supported by the provided data.

Physical Properties

Item-specific physical data

• 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.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP / pKa: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule library members (literature/general)

• Solubility planning: Many discovery compounds are formulated as DMSO stocks (e.g., 10–50 mM) due to broad solubilizing power. If aqueous work is required, co-solvents (DMSO <1–2% v/v in final assay) with surfactants (e.g., 0.01–0.05% Tween 20) are commonly employed. Verify solubility and absence of aggregation by visual inspection and, if critical, by nephelometry or UV–Vis scattering.
• Stability considerations: Numerous drug-like scaffolds are light- and/or moisture-sensitive. Protect from light, minimize exposure to ambient humidity, and avoid repeated freeze–thaw.
• Polymorphism/hygroscopicity: Not specified for this item; refer to CoA/Spec Sheet.

Important: Do not treat the above generalities as specifications for BIO8898. For exact values and constraints, consult the CoA/SDS for this specific lot.

Quality & Grades

• Grade: Moligand™ (discovery-grade small-molecule screening material)

What Moligand™ generally implies (general guidance)

• Intended use: Research screening, target validation, and assay development. Suitable for typical HTS/fragment/lead-discovery workflows when paired with appropriate QC.
• Documentation: Structure, identity, and purity details (e.g., NMR/LC–MS) are commonly provided in a CoA or data sheet for discovery compounds. Obtain the current lot CoA for confirmatory data.
• UV background and LC behavior: Discovery-grade materials are often compatible with common bioassay readouts; however, verify interference (auto-fluorescence/absorbance or redox reactivity) in your assay matrix.

Item-specific statements

• Purity/assay, stabilizers, water/peroxide/metal limits, residual solvents, and UV cutoffs: Not specified for this item; refer to CoA/Spec Sheet.

Recommendations for use

• Implement incoming QC fit-for-purpose (e.g., quick LC–MS identity/purity check) before large screens.
• Prepare single-use aliquots to preserve integrity across campaigns.
• Track plate maps and freeze–thaw counts to maintain data quality.

Reaction & Applications

This product is supplied as a discovery/screening compound (Moligand™) rather than a synthetic reagent. As such, it is primarily used in biological/biochemical assays and ligand-discovery workflows, not as a stoichiometric reagent or catalyst.

Practical applications (general for screening compounds)

• Biochemical/biophysical assays: Evaluate binding or modulation in target-based screens (e.g., enzyme assays, receptor/ligand binding, thermal shift/DSF, SPR, MST). Specific targets for BIO8898 are not provided in the product data.
• Cell-based assays: Assess cellular phenotypes, reporter activation/inhibition, or pathway modulation. Validate compound integrity and exclude assay interference (e.g., redox cycling, fluorescence quenching) through orthogonal counterscreens.
• Structure–activity relationship (SAR) basis: Use as a reference chemotype within a panel; confirm identity/purity by LC–MS/NMR before SAR extrapolation.

Assay tips (general)

• Control solvent concentration (typically ≤0.5–1% DMSO in final assay).
• Include vehicle controls and concentration–response curves (≥8–10 points) to derive robust potency metrics.
• Check for aggregation with detergent-sensitivity tests and light scattering when anomalous steep Hill slopes are observed.

Important: No item-specific biological activity or target information is provided for BIO8898 in this listing.

Reaction Conditions

Typical reaction conditions are not applicable because BIO8898 is provided as a screening compound rather than a reagent or substrate for named synthetic transformations.

If medicinal chemistry derivatives are contemplated after obtaining the structure (general guidance)

• Couplings: For aryl halides, Pd-catalyzed cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig) commonly run in toluene/dioxane/MeCN/DMA at 60–110°C with bases such as K3PO4 or Cs2CO3; inert atmosphere and degassed solvents recommended.
• Amide formation: HATU/EDC/DIC in DMF/MeCN with DIPEA at 0–25°C to room temperature; typical times 0.5–16 h.
• Heterocycle functionalization: SNAr conditions in DMSO/DMF at 40–100°C may apply to activated systems.

These are literature-general conditions and are not specifications for BIO8898. Verify compatibility with the actual functional groups once structural information is obtained.

Safety & Handling

GHS and hazard statements (item-specific)

• Signal word: Not specified for this item; refer to SDS.
• Hazard statements (H-codes): Not specified for this item; refer to SDS.
• GHS classification/pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (best practice; defer to SDS)

• PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use in a chemical fume hood to avoid inhalation of dusts/vapors/aerosols.
• Avoid contact with skin and eyes; wash thoroughly after handling. Do not ingest or inhale.
• Incompatibilities: Without structure, specific incompatibilities cannot be listed. As a precaution, keep away from strong oxidizers/reducers, strong acids/bases until compatibility is confirmed.
• Spill response: Contain solids with inert absorbent, avoid dust generation, and collect in sealable waste. Ventilate area.
• First aid (overview): If inhaled—move to fresh air; if on skin—wash with soap/water; if in eyes—rinse cautiously with water for several minutes; if ingested—rinse mouth and seek medical advice. Always follow SDS instructions.

Special risks for discovery compounds (general)

• Unknown toxicology is common; handle on a “minimal exposure” basis.
• Potential light/air sensitivity: store as directed (-80°C) and minimize bench time.

Authoritative source: For definitive hazard classification and response measures, consult the SDS for BIO8898.

Solvent Selection

Item-specific solubility data are not provided. The following guidance is general for small-molecule screening compounds and should be verified experimentally for BIO8898.

• Primary stock solvent (general): DMSO is typically preferred for discovery compounds due to broad solubilizing capacity and assay compatibility at ≤1–2% v/v in final wells.
• Secondary solvents (general): DMF, ethanol, or acetonitrile can assist dissolution; mixtures (e.g., DMSO:water, DMSO:ACN) may help for borderline solubility. Avoid non-volatile solvents if lyophilization or dry-down is anticipated.
• Aqueous work: Use buffer with minimal ionic strength and a small percentage of co-solvent plus a non-ionic surfactant to limit aggregation/adsorption.
• Adsorption control: Low-binding plastics or glass vials can reduce losses of hydrophobic compounds.

Comparison (general)

• DMSO vs DMF: DMSO offers better biocompatibility and lower volatility; DMF can enhance solubility for certain heteroaromatics but is less assay-friendly.
• ACN vs EtOH: ACN provides low viscosity and good miscibility; EtOH may be preferable for certain biochemical systems but can affect enzyme activity.

Note: Select solvents based on actual structure/functional groups once available from the CoA; perform a small solubility screen before plate preparation.

Storage & Reconstitution

Storage (item-specific)

• Store at -80°C.
• Shipped on dry ice packs + cold packs to maintain ultra-low temperature.

Handling and reconstitution (general guidance for discovery compounds; not item-specific specifications)

• Upon receipt: Keep frozen. Allow shipping container to equilibrate to room temperature externally to avoid condensation ingress, then promptly transfer vials to -80°C.
• Aliquoting: If solid, work quickly at low temperature and low humidity. If solution in DMSO, thaw on ice, vortex gently, and prepare single-use aliquots to avoid repeated freeze–thaw.
• Stock solutions: Where compatible, prepare DMSO stocks (e.g., 10–50 mM) under dry, inert conditions if sensitivity is suspected. Record concentration and date; protect from light.
• Freeze–thaw: Minimize cycles; repeated thawing can accelerate degradation and introduce variability in screening data.
• Short-term stability: If necessary, keep at 2–8°C for the minimum time during assay setup; return unused material to -80°C promptly.

Item-specific details such as hydrate/solvate form, exact solubility, and stability in aqueous buffers: Not specified for this item; refer to CoA/Spec Sheet.

Structure & Identity

• Item: BIO8898 (SKU: B1495455)
• Category: 小分子和化合物库 (small-molecule library member)
• Grade: Moligand™

Item-specific identifiers

• Chemical name: Not specified for this item; refer to CoA/Spec Sheet.
• CAS: 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.
• SMILES / InChI / InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general notes)

• No structural information is provided in the product data. As a library screening compound (Moligand™), BIO8898 is intended for ligand-discovery workflows. Any assumptions about ring systems, heteroatoms, or stereochemistry would be speculative. Please consult the CoA, SDS, or supplier dossier for definitive structural details if required for method development or registration.

Synthetic Utility

BIO8898 is offered as a screening compound (Moligand™) rather than a synthetic building block or reagent. Without a disclosed structure, specific functional-group reactivity, protecting-group strategies, or named-reaction participation cannot be detailed.

General guidance for follow-up chemistry (if structure is available via CoA)

• Derivatization for SAR: Once functional handles are known (e.g., anilines, phenols, halides), typical transformations may include amide coupling (HATU/EDC), Buchwald–Hartwig or Suzuki couplings, nucleophilic substitutions, or O-/N-alkylations to explore SAR.
• Solubility-aware route design: Choose coupling media (e.g., DMA/DMSO/MeCN) and bases to match the compound’s ionization profile; employ microwave or flow methods for recalcitrant scaffolds.
• Analytical support: Track reactions by LC–MS and confirm identity/purity with 1H/13C NMR and HRMS.

Item-specific functional groups, reactivity, and protecting-group recommendations: Not specified for this item; refer to structural documentation if available.

Target Specificity

Item-specific target, selectivity profile, and binding parameters for BIO8898 are not provided in the product data.

Notes

• As a Moligand™ screening compound, any target engagement should be confirmed experimentally using orthogonal assays (e.g., biochemical plus biophysical confirmation).
• Do not assume protein class or pathway specificity without documentation. Refer to the CoA/technical note or internal validation data for definitive target information if available.