PB2 - Moligand™, 10 mM in DMSO , CAS No.914940-24-2

CAS: 914940-24-2 Cat. No.: P1496714 분자식: C₁₆H₂₀BO₂P 분자량: 286.11

등급 & 순도 Moligand™, 10 mM in DMSO

Storage

Argon charged,Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

PB2 is a tris(2-carboxyethyl)phosphine (TCEP) analogue increasing retinal ganglion (RGCs) cells survival after axotomy in vitro at nanomolar and picomolar concentrations. PB2 is substantially more permeable than TCEP. PB2, as a reducing agent, is highly neuroprotective for RGCs.

사양

사양 및 순도

Moligand™, 10 mM in DMSO

보관 조건

Argon charged,Store at -80°C

배송

Dry ice packs + Cold packs

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등급

Moligand™

이름과 식별자

분자량

286.11

Application Protocols

Validated application data are not provided for this item. Below are general, non‑item‑specific procedures suitable for small‑molecule screening stocks.

Example workflow (general):

1. Stock preparation: Dissolve PB2 at 10–20 mM in anhydrous DMSO under inert gas. Vortex and, if needed, sonicate briefly. Inspect for clarity; filter through 0.22 μm PTFE if particulates persist.
2. Aliquoting: Dispense into low‑bind tubes or 96/384‑well plates (e.g., 10–50 μL per well). Seal with foil; store at −80°C.
3. Working solutions: Immediately before use, thaw on ice, vortex, and dilute into assay buffer to achieve ≤1% final DMSO. Prepare a 10‑point serial dilution (1:3 or 1:2) for potency curves.
4. Quality check: Verify concentration by LC–UV or quantitative NMR when practical. Run a vehicle control and an orthogonal assay to confirm activity.

Assay‑specific parameters (e.g., enzyme concentration, incubation time, detection wavelength) must be optimized per target and are not specified for this item.

Biological Roles

Biological function is target‑dependent and not provided for PB2 in this listing. No claims are made regarding mechanisms or therapeutic relevance.

General use of Moligand‑type compounds in research (non‑clinical):

• Tool compounds for probing protein function in vitro by binding or modulating enzymatic activity, protein–protein interactions, or receptor signaling.
• Chemical biology: Use in thermal shift assays (DSF/CETSA), pull‑down with immobilized analogs, or photoaffinity variants (if available) to map interactions.
• Structure–activity relationship (SAR) development: PB2 can serve as a starting point for analog design once its core scaffold and substituents are known.

Assay design considerations (general):

• Verify that assay readouts are not confounded by compound autofluorescence or redox cycling. Include appropriate vehicle and orthogonal controls.
• Determine basic ADME surrogates (aqueous solubility, microsomal stability, permeability) to contextualize cellular potency versus exposure.

Note: For research use only. Not for human or veterinary use. No biological roles are assigned to PB2 without further structural/target disclosure.

Buffer Applications

PB2 is a small‑molecule ligand, not a buffering reagent. As such, it does not serve to control pH or ionic strength.

Practical notes for buffer use with small molecules (general):

• Maintain final DMSO concentration ≤1–2% v/v in biochemical buffers (e.g., HEPES, Tris, PBS) to avoid protein destabilization.
• Pre‑dilute DMSO stocks into buffer while mixing to prevent local supersaturation; include 0.01–0.05% nonionic surfactant only if nonspecific adsorption/aggregation is observed and compatible with the assay.
• Adjust buffer pH to favor ionization when appropriate to increase aqueous solubility; absent pKa data for PB2, perform small‑scale tests at the working pH range of your assay.

Green Alternatives

Green chemistry considerations for handling small‑molecule ligands primarily concern solvent selection and energy use rather than the compound itself.

• Preferred solvents (general guidance):
  • Replace chlorinated solvents with ethyl acetate, 2‑MeTHF, or dimethyl carbonate where feasible (for workup or purification).
  • For analytical/sample prep, favor MeCN over MeCl/CH2Cl2; for reaction media (if applicable), consider CPME or 2‑MeTHF as greener ethers versus THF.
• Stock solutions: Concentrated DMSO stocks minimize solvent waste; dispense via acoustic or positive‑displacement systems to reduce plastic consumables and dead volumes.
• Energy minimization: Store at −80°C as specified, but avoid unnecessary freeze–thaw cycling by aliquoting; this reduces both material loss and cold‑chain burden.

Illustrative comparison (general, not item-specific):

• THF vs 2‑MeTHF: similar polarity; 2‑MeTHF offers bio‑based sourcing and improved peroxide profile but may contain residual water; confirm compatibility.
• DCM vs EtOAc: EtOAc is less toxic and more biodegradable; check solubility and evaporation rate impacts on workflows.

Note: Because PB2’s structure is undisclosed here, verify solvent compatibility experimentally before adopting a greener substitute.

Pharmaceutical Uses

No excipient or pharmacopeial information is provided for PB2. This product is supplied strictly for research use and is not intended for human or veterinary applications.

General formulation context for research compounds (non‑clinical, not item-specific):

• Preclinical tool formulation often relies on DMSO/PEG400/saline or cyclodextrin systems; compatibility is compound‑dependent and requires stability/solubility verification.
• For in vitro studies, DMSO stock solutions with immediate dilution into assay media are standard; limit final DMSO to minimize biological interference.

Regulatory note: PB2 has no stated pharmacopeial monograph or GMP status in this listing. Do not use in any clinical or manufacturing setting.

Physical Properties

Item-specific physicochemical data are not disclosed in the current listing. For rigorous method development, request the CoA/Spec Sheet.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Melting/boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index/optical rotation: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility profile: Not specified for this item; refer to CoA/Spec Sheet.

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

• Most library ligands are supplied as dry films or powders with good solubility in anhydrous DMSO; subsequent dilution into assay buffers often requires ≤1–2% final DMSO to maintain solubility.
• If the compound is neutral/apolar, co‑solvents like MeCN or MeOH can aid stock preparation before final DMSO adjustment. Ionizable compounds may benefit from pH‑matched buffers after DMSO spiking to minimize precipitation.
• Always verify solution stability by LC‑UV/LC‑MS after at‑temperature storage to confirm absence of hydrolysis or oxidation.

Quality and Grades

• Grade/Purity: Moligand™

What Moligand™ signifies (program-level description, not item-specific specs):

• Moligand entries are curated for small‑molecule discovery workflows, emphasizing structural definition, traceability (CAS/SKU), and suitability for biochemical and cell‑based screening.
• Typical QC for Moligand series includes identity confirmation (e.g., LC–MS, 1H NMR) and purity screening appropriate for hit‑finding; detailed numeric purity and impurity thresholds for this specific item are Not specified for this item; refer to CoA/Spec Sheet.
• Solvent residues, water content, and metal traces: Not specified for this item; refer to CoA/Spec Sheet.

Implications for use:

• Chromatographic assays (HPLC/UPLC): Verify UV background and late‑eluting impurities; if needed, repurify by flash or prep LC prior to quantitative studies.
• Biochemical/cellular assays: Prepare fresh DMSO stocks, filter if necessary (0.22 μm PTFE) to remove particulates, and confirm concentration by UV or quantitative NMR when feasible.
• Documentation: Lot‑specific CoA/SDS provide definitive acceptance criteria and analytical snapshots. Request these prior to regulated or data‑critical studies.

Reaction and Applications

This product is supplied as a small‑molecule library ligand for discovery screening rather than as a synthetic reagent. Without structural information, proposing specific reaction roles (e.g., nucleophile/electrophile behavior, named‑reaction compatibility) would be speculative.

How PB2 is typically used (general discovery workflows):

• Biochemical assays: Evaluate binding or modulation of protein targets using enzyme activity, fluorescence polarization, thermal shift (DSF), or SPR assays.
• Cell‑based assays: Phenotypic screening or target‑engagement readouts (e.g., CETSA) at controlled DMSO levels.
• Profiling: Basic ADME‑related in vitro panels (solubility, stability in buffer/microsomes, permeability) to triage hits before scale‑up.

Assay implementation tips (general):

• Establish solubility limits from a serial dilution with turbidity monitoring or nephelometry.
• Include counter‑screens for aggregation (e.g., detergent controls) and redox activity if chromophores are suspected.
• Confirm identity/purity of the working stock solutions by LC–MS to exclude artifacts from degradants.

If you intend to use PB2 as a synthetic building block, please request structural disclosure and refer to the “Synthetic Utility” and “Reaction Conditions” sections accordingly.

Reaction Conditions

Not applicable in a specific sense: PB2 is provided as a screening ligand, and no structure or reactivity profile is disclosed here. Therefore, concrete reaction conditions cannot be recommended for transformations involving PB2.

General guidance if derivatization is contemplated after structure disclosure:

• Couplings: Typical conditions include Pd‑catalyzed cross‑couplings (Suzuki–Miyaura in 2‑MeTHF/water with K3PO4, 50–90°C) or amide formations (HATU/DIPEA in DMF or DCM, 0–25°C). These are literature‑level examples only; confirm compatibility with the actual functional groups.
• Redox chemistry: Perform small‑scale screenings to assess tolerance to hydrogenation (Pd/C, H2), mild oxidants (mCPBA, Oxone), or selective reductions (BH3·THF, NaBH4) as applicable.
• Purification: Flash chromatography on silica or C18 prep‑LC; choose eluents based on polarity and UV properties after scouting runs.

Always validate identity/purity of products by orthogonal methods (LC–MS, NMR) and confirm absence of residual metals if biological testing is planned.

Safety and Handling

Hazard information specific to PB2 is not provided in this listing. Always consult the SDS for authoritative guidance.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / H‑statements / Pictograms: Not specified for this item; refer to SDS.

Good laboratory practice (general, not item-specific):

• PPE: Lab coat, safety glasses, and appropriate chemical‑resistant gloves (e.g., nitrile). Use in a chemical fume hood to avoid inhalation exposure.
• Storage incompatibilities: The item is argon charged and specified for −80°C storage, suggesting potential sensitivity to moisture, oxygen, and/or heat. Avoid exposure to air, oxidants, acids/bases, and light until stability is verified.
• Handling: Allow vials to warm to room temperature under inert gas before opening to prevent condensation. If lyophilized, briefly centrifuge before opening to settle contents.
• First aid (general): In case of skin/eye contact, rinse with water for at least 15 minutes. If inhaled, move to fresh air. If ingested, seek medical attention. Provide SDS to responders.
• Waste: Collect all solutions, rinses, and contaminated disposables in halogenated/non‑halogenated waste streams as appropriate; follow institutional hazardous waste procedures.

Note: For research use only. Not for human or veterinary use.

Solvent Selection

Given the absence of structure/solubility data for PB2, choose solvents conservatively and confirm by small‑scale tests.

Practical solvent strategy (general guidance for small‑molecule ligands):

• Primary stock solvent: Anhydrous DMSO (screening‑grade). Target 10–50 mM stocks depending on solubility; visually confirm clarity and absence of crystallization at room temperature and after 24 h at 4°C.
• Co‑solvents for difficult solubilization: MeCN or MeOH (anhydrous). Add ≤10–20% co‑solvent to DMSO if needed, then dilute into buffer while keeping final organic fraction ≤1–2%.
• Aqueous compatibility: Pre‑spike DMSO stocks into buffer with vigorous mixing; adjust pH to favor ionization of acids/bases to enhance solubility (if known). Use polysorbate‑free conditions unless adsorption losses are observed.

Small comparison (general, not item-specific):

• DMSO: highest solvency; most common for HTS. Potential assay interference at >1–2% v/v.
• MeCN: volatile, low viscosity; good for LC/MS sample prep; lower solvency than DMSO.
• MeOH/EtOH: protic; can affect enzyme activity/membranes; use sparingly.

Tip: If PB2 shows poor solubility, evaluate gentle warming (≤40°C) and sonication under inert gas; avoid prolonged heating to mitigate decomposition.

Storage and Reconstitution

Follow the item‑specific storage directives to maintain integrity across handling cycles.

Item‑specific instructions:

• Storage conditions: Argon charged, store at −80°C.
• Shipped in: Dry ice packs + cold packs, maintaining a robust cold chain.

Best practices (general, not item-specific):

• Upon receipt: Keep sealed under inert atmosphere. Allow the container to equilibrate to room temperature before opening to prevent moisture condensation. Briefly centrifuge to collect material at the bottom.
• Aliquoting: Prepare anhydrous DMSO stocks (e.g., 10–50 mM) inside a dry box or using argon/nitrogen backfill. Dispense single‑use aliquots to avoid repeated freeze–thaw.
• Freeze–thaw: Minimize cycles; repeated thawing can accelerate hydrolysis/oxidation for sensitive chemotypes.
• Light/moisture: Protect from ambient humidity and strong light until stability is verified; consider amber vials.
• Stability: Solution and solid‑state stability are Not specified for this item; refer to CoA/Spec Sheet. If needed, establish an internal re‑test date using LC–MS monitoring at intervals.

Reconstitution tips:

• Start with DMSO; if solubility is limited, gently warm (≤40°C) and/or add a small proportion of MeCN or MeOH, then return to pure DMSO by solvent exchange if required.

Research use only.

Structure and Identity

Brief overview: PB2 (SKU P1496714) is listed in our small‑molecule/compound library category (Moligand grade). Item‑specific structural identifiers are not provided in the current product data and should be confirmed from the CoA or on request.

• Product name: PB2
• SKU: P1496714
• CAS: 914940-24-2
• Category: Small molecules and compound libraries (Moligand series)
• 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.
• Stereochemistry/functional groups: Not specified for this item; refer to CoA/Spec Sheet.

2D structure description (general): Without a SMILES/InChI or structural depiction, ring systems, heteroatoms, and functional group content cannot be summarized for this entry. If you require structural details for assay panel design or docking, contact us for the structure-disclosure workflow under your screening agreement.

Synthetic Utility

This entry is positioned as a discovery‑screening ligand rather than a building block. Without structural information, its synthetic reactivity, handle compatibility, and participation in named reactions cannot be evaluated responsibly.

If you plan derivative synthesis or scaffold elaboration:

• Request structural disclosure and CoA to identify core motif, substitution pattern, and functional handles (e.g., halides, boronates, amines, acids).
• Once known, map orthogonal protection strategies and cross‑coupling/condensation routes (e.g., Suzuki, Buchwald–Hartwig, amide coupling) around the scaffold.
• Establish stability in common transformations (base/acid, oxidative, reductive, metal catalysis) using micro‑scale scouting reactions with LC–MS tracking.

For library expansion, consider parallel synthesis tactics (amide/urea/S_NAr diversification) if the scaffold supports them; ensure analytical throughput (UPLC‑MS) is in place to triage crude purity and carry forward criteria.

Target Specificity

Target specificity, binding partners, or selectivity data for PB2 are not provided in the product data.

• Target/epitope: Not specified for this item; refer to CoA/Spec Sheet or screening data if available under confidentiality.
• Species reactivity: Not applicable to small molecules; context is target‑based.
• Off‑target profiling: Not specified for this item; recommend panel screening (e.g., safety panel) if downstream studies require it.

자주 묻는 질문

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.