Bipolal , CAS No.155112-68-8

CAS: 155112-68-8 Cat. No.: B1452559 Formule: C₂₄H₃₀O₅ Poids moléculaire: 398.49

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Bipolal (KM 01) is a natural product isolated from the culture fluid of bipolar algae ( Bipolaris sp. ). It has a bipolar structure and can form a surfactant between water and oil, so it has excellent Anti-pollution properties. Bipolal can effectively inhibit marine bioaccumulation and biocorrosion, and has broad application prospects.

Specifications

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Poids moléculaire: 398.49

Application Protocols

No validated application protocols are provided for this product.

• Tested applications (WB, IHC, IF, FC, ELISA, enzymatic assays, etc.): Not specified for this item; refer to CoA/Spec Sheet.
• Recommended working concentrations/dilutions: Not specified for this item; refer to CoA/Spec Sheet.

General handling for small-molecule life-science reagents

• Prepare a concentrated stock (commonly 10–50 mM) in a compatible solvent (often DMSO), filter-sterilize if required by the assay (0.2 µm), and store aliquots at the recommended temperature.
• Thaw aliquots on ice, mix thoroughly, and avoid repeated freeze–thaw cycles. Document final solvent percentages in assay wells to maintain consistency across experiments.
• Validate performance with positive and negative controls appropriate to the biological readout.

For detailed, application-specific SOPs, contact Technical Support with your intended use case.

Biological Roles

No biological target, pathway, or mechanistic information is provided for Bipolal in this listing.

General guidance for life-science small molecules

• If intended as a biochemical probe, document the putative target(s), EC50/IC50 ranges, and selectivity profile from primary literature and include internal confirmation (n≥3 independent assays).
• For cell-based assays, characterize cytotoxicity (e.g., MTT/CellTiter) and off-target effects at relevant exposure times. Validate compound stability in culture media (protein binding, hydrolysis, oxidation) via LC–MS.
• For omits (target-agnostic phenotypic screens), ensure robust controls and orthogonal readouts to mitigate false positives from aggregation or ROS generation. Consider PAINS filters once the structure is known.
• Record the stock solvent, final solvent percentages in assays, and any carrier effects.

Note: As no structural or target information is available here, no specific biological role can be ascribed. For research use only.

Buffer Applications

This item is not designated as a buffering reagent, and no acid/base parameters are provided. Therefore, buffer system recommendations are not typically applicable.

If you need to formulate this compound for biological assays

• Prepare concentrated DMSO or aqueous co‑solvent stocks and dilute into assay buffers (e.g., PBS, HEPES, Tris) ensuring the final co‑solvent level is within assay tolerance (commonly 0.1–1% v/v DMSO).
• If ionizable groups are later identified, choose buffers within ±1 pH unit of the compound’s relevant pKa to control speciation and solubility.
• Filter final working solutions through 0.2 µm membranes to remove particulates.

For dedicated buffer components, consider well-characterized systems such as HEPES (pH 6.8–8.2), MOPS (pH 6.5–7.9), Tris (pH 7–9), or acetate (pH 3.6–5.6) as appropriate to your biology, but these are not directly related to this product.

Green Alternatives

Without structural and process context for Bipolal, specific greener substitutions cannot be definitively recommended. Nevertheless, when planning experiments with unknown small molecules, you can reduce environmental impact by optimizing the solvent and workup choices.

Strategy for greener practice

• Prefer low-toxicity, bio-derived solvents when feasible: 2‑MeTHF, CPME, EtOAc, propylene carbonate, water/biobased co‑solvents. Replace chlorinated solvents when possible.
• Minimize DMSO/DMF/NMP volumes; consider MeOH/EtOH or acetonitrile as less hazardous alternatives, balancing solvency and safety.
• Employ microscale and DoE to reduce material/solvent consumption.
• Use solid-phase extraction (SPE) or aqueous LLE with greener solvent systems for purification.

Illustrative comparison (general)

• Chlorinated solvents (DCM, chloroform): high EHS concern; consider EtOAc or 2‑MeTHF for extractions where partitioning allows.
• NMP/DMF: reproductive toxicity/worker exposure issues; consider MeCN, green ester/ether solvents, or water-enabled chemistries when compatible.

Documentation

• Track mass intensity (MI) and solvent E-factors; pre-register greener alternatives in your method so they can be adopted once compound solubility/stability is confirmed.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation guidance is provided for Bipolal in this listing. The product is designated For research use only and is not intended for human or veterinary use.

General formulation considerations for research compounds

• If used in pre-formulation research (non-clinical), characterize solubility, stability (pH/light/oxidation), and polymorphism (XRPD/DSC) to inform vehicle selection.
• Common research vehicles for in vivo models (not clinical use): PEG400/water, Captisol, tweened saline, or oils—selected only after confirming safety for the specific model and institutional approval.
• For in vitro tools, prepare DMSO stocks and avoid precipitation upon dilution by matching pH/ionic strength and controlling final DMSO ≤0.5–1% where possible.

Regulatory note

• Do not imply clinical efficacy, dosing, or therapeutic claims. For cGMP or compendial materials, separate sourcing and qualification are required.

Physical Properties

Item-specific physicochemical parameters are not provided in this listing.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (literature/computed): Not available; structure not provided.
• Boiling point (literature/computed): Not available; structure not provided.
• Density (literature/computed): Not available; structure not provided.
• Refractive index (literature): Not available; structure not provided.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet. In the absence of data for novel/unknown small molecules, initial solubility screening is commonly performed in DMSO, MeOH, EtOH, acetonitrile, and aqueous buffers with co-solvents.
• LogP/logD, pKa (literature/computed): Not available; structure not provided.
• UV–vis λmax (literature): Not available; structure not provided.

Practical guidance

• Begin with a small-scale solubility panel (e.g., 10 mM stock attempts in anhydrous DMSO, then serial dilution into aqueous media with 0.5–2% DMSO as needed).
• If crystalline, a DSC/TGA scan can elucidate thermal behavior (mp, polymorphism, solvation). For ambiguous solids/liquids, 1H NMR in multiple deuterated solvents helps identify aggregation or impurity signals.
• For HPLC method scouting without chromophores, consider ELSD/CAD detection or LC–MS.
• Defer to the item’s CoA/SDS for definitive specifications.

Quality and Grades

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

Interpretation and best practices

• In the absence of a declared grade, treat the material as a research-use reagent (as indicated) rather than a reference standard or GMP-grade substance.
• If chromatographic or bioassay applications are intended, request a full CoA including: assay/purity basis (e.g., HPLC area%), identified impurities, residual solvents, water (KF), and any stabilizers.
• For spectroscopic work, low-UV background and defined counterions (if salt form) are essential. Confirm with CoA whether the product is a free base/acid or a salt/hydrate/solvate.
• If you require enhanced specifications (e.g., ≤0.1% water, residual metals, or defined UV cutoff), contact Technical Support to determine availability or custom manufacture.
• For regulated workflows (GLP), document the lot-to-lot CoA, SDS, and maintain chain-of-custody records.

Reaction and Applications

This product is categorized under Life Science and may be intended primarily for biological or biochemical research rather than as a bulk synthetic reagent. As the structure and functional groups are not provided, reaction-specific applications cannot be assigned to this item.

General considerations for small-molecule life-science reagents

• If used as a tool compound or probe, typical workflows include preparation of DMSO stocks, serial dilution into assay buffers, and readouts via enzyme activity, receptor binding, or cell-based phenotypes.
• If used in derivatization or conjugation, establishing the presence of reactive handles (amines, carboxyls, thiols, halides) is critical before planning coupling chemistry (e.g., NHS-ester, click chemistry). Confirm via NMR/LC–MS and CoA.
• For library synthesis or SAR expansion, first verify the compound’s chemical stability across pH 2–10, oxidative conditions, and light exposure.

Practical tips

• Perform a stability-indicating HPLC method to track parent vs. degradants during storage and in assay media.
• If scaling any transformation with this compound, run small test reactions and include controls until reactivity is understood.

If you can share the target application or confirm the structural class, we can provide tailored reaction guidance and literature precedents.

Reaction Conditions

No reaction condition guidance can be item-specific without knowing the structure and functional groups of Bipolal.

General small-molecule optimization heuristics (literature-based)

• If cross-coupling motifs are present: Pd(0) catalysts (e.g., Pd2(dba)3/XPhos), 60–100°C, 2–12 h, solvents such as toluene/dioxane/MeCN; bases like K3PO4 or Cs2CO3. Yields are highly substrate-dependent (literature 50–90%).
• For amide couplings: EDCI/HOBt, HATU, or CDI in DMF/MeCN, 0–25°C, 1–16 h. Monitor by LC–MS; typical literature yields 60–95% depending on sterics.
• Nucleophilic substitutions: polar aprotic solvents (DMF/DMSO/MeCN), 20–100°C; consider phase-transfer catalysis for heterogeneous systems.
• Hydrogenations/reductions: H2/Pd–C or transfer hydrogenation at ambient to 50 psi, 20–50°C; verify stability of other reducible groups first.

These are provided as general literature norms and are not specific to this product. Confirm compatibility experimentally once the structure is known.

Safety and Handling

Hazard information is not provided in this listing; always consult the official SDS for authoritative safety data.

• GHS classification / pictograms / H-statements: Not specified for this item; refer to SDS.
• Signal word: Not specified for this item; refer to SDS.
• General laboratory precautions (good practice):
  • Wear appropriate PPE: lab coat, safety glasses, and chemical-resistant gloves (e.g., nitrile). Use additional protection (face shield, sleeve covers) if splashing or aerosolization is possible.
  • Handle within a chemical fume hood to avoid inhalation exposure, especially during weighing, dissolution, and transfers.
  • Avoid contact with strong oxidizers and reactive reagents until compatibility is known; unknown organics should be treated as potentially combustible/irritant.
  • Prevent uncontrolled heating; unknown organics may decompose thermally.
• First-aid overview (general):
  • Skin/eye contact: Rinse with water for ≥15 minutes; remove contaminated clothing; seek medical attention per SDS.
  • Inhalation: Move to fresh air; support respiration; seek medical attention.
  • Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.
• Spill response (small scale): Adsorb with inert material (vermiculite), collect in sealed container for disposal. Avoid creating dust/aerosols.
• Waste: Dispose of according to local regulations; assume organic hazardous waste unless otherwise specified.
• Always defer to the product’s SDS for specific incompatibilities, exposure limits, and toxicological data.

Solvent Selection

Because no structure or solubility data are provided, solvent choice should follow a rational screening approach commonly used for small-molecule life-science reagents.

Recommended tiered screening

• Tier 1 (strong organic solvents): DMSO, DMF, NMP, acetonitrile, methanol, ethanol. Start with 10–50 mM stocks in anhydrous DMSO when compatibility with aqueous assays is expected.
• Tier 2 (medium polarity/ethers/esters): Isopropanol, ethyl acetate, MTBE, 2-MeTHF. Useful for workup and crystallization trials.
• Tier 3 (nonpolar): Dichloromethane, toluene, hexanes for extractions and nonpolar chromatography phases.
• Aqueous systems: If water solubility is required, test buffered saline (pH 6–8) with co-solvents (0.5–2% DMSO or ethanol) and surfactants (e.g., 0.01–0.1% Tween 80) as permitted by your assay.

Practical tips

• Filter stock solutions (0.2 µm PTFE) to remove particulates before dosing into assays.
• Verify solution stability over time by LC–MS/HPLC; unknown compounds can undergo hydrolysis/oxidation.
• Avoid reactive solvents (e.g., methanolic base) until stability is established.
• For NMR, begin with CDCl3 and DMSO‑d6. If signals are broad/absent, try MeOD‑d4 or mixtures to disrupt aggregation.

Comparison note

• If a structure is later confirmed to be polar/ionizable, aqueous buffers may be favored; for highly lipophilic scaffolds, DMSO or nonpolar media will be required. Always confirm with the item’s CoA.

Storage and Reconstitution

• Storage conditions (as provided): Store at -20°C.
• Shipping: Shipped in ice chest + ice pads to maintain a cold chain during transit.
• Form/appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Stability / shelf life: Not specified for this item; refer to CoA/Spec Sheet. Until confirmed, minimize exposure to light, air, and moisture.

Reconstitution guidance (general for small molecules)

• If solid: Bring container to room temperature in a desiccator before opening to avoid moisture condensation. Dissolve in a suitable solvent (commonly anhydrous DMSO or MeOH) to prepare a concentrated stock (e.g., 10–50 mM), then aliquot and store at -20°C.
• If liquid/oil: Pre-chill, vortex before use, and dispense under dry inert gas if air/moisture sensitive.
• For aqueous working solutions: Prepare immediately before use; many small molecules have reduced stability in water. Filter through 0.2 µm if sterility is required.
• Avoid repeated freeze–thaw cycles; use single-use aliquots. Record preparation date, solvent, and concentration on each aliquot.

Regulatory note: For research use only. Defer to the product’s CoA and SDS for definitive guidance on stability, compatibility, and hazards.

Structure and Identity

Brief overview: Bipolal (CAS 155112-68-8) is listed under Life Science reagents. However, no structural identifiers are provided in this catalog entry.

• Product Name (catalog): Bipolal
• CAS: 155112-68-8
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: 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.
• Synonyms: Not specified for this item; refer to CoA/Spec Sheet.
• Structural features (functional groups, rings, stereochemistry): Not available in this listing. Without SMILES/InChI or a structure, functional group analysis cannot be provided.

Practical notes

• If you require definitive structural confirmation (e.g., for method development or regulatory documentation), request the latest Certificate of Analysis (CoA), Specification Sheet, or SDS for full identifiers.
• If a structure becomes available, include a 2D description (e.g., ring system, heteroatoms, stereocenters) to guide solvent choice and analytical methods (NMR, LC–MS).

Synthetic Utility

Due to the absence of structural information, specific synthetic transformations involving Bipolal cannot be recommended.

General guidance if the compound is to be used synthetically

• Confirm the functional group profile (NMR, IR, HRMS) to identify handles for diversification (e.g., halides for cross-coupling, amines/carboxyls for amide formation, alcohols for ester/ether formation).
• Establish stability maps: resistance to acid/base, redox conditions, and temperature to choose compatible reaction conditions.
• If derivatization is planned for SAR, consider modular chemistries (e.g., Suzuki–Miyaura, Buchwald–Hartwig, CuAAC click) if corresponding motifs are present.
• For protecting-group strategies, select orthogonal groups compatible with the unknown scaffold once identified.

Analytical support

• Implement in-process LC–MS and qNMR to track conversions and quantify assayable purity, especially for scale-up.

Target Specificity

No target, pathway, or binding specificity information is provided for Bipolal in this listing.

• Target/epitope: Not specified for this item; refer to CoA/Spec Sheet.
• Assay-verified specificity: Not specified for this item; refer to CoA/Spec Sheet.

If Bipolal is intended as a tool compound, please consult primary literature or request technical documentation for target engagement data (KD/IC50/EC50, selectivity vs. off-targets, and assay formats). For research use only.