Comanthoside A - ≥98% , CAS No.70938-59-9

CAS: 70938-59-9 Cat. No.: C664258

GRADE & PURITY ≥98%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Application Protocols

No vendor-validated application protocols are provided for this item. The following are general, non–item-specific procedures commonly used for small-molecule library members.

• Preparation of stock solutions (general):

  • Weigh an appropriate amount quickly to minimize ambient moisture uptake.
  • Dissolve in anhydrous DMSO to prepare a 10–50 mM stock (concentration chosen based on anticipated assay range and solubility). Vortex and sonicate as needed.
  • Aliquot into low-bind, amber vials or plates; seal tightly to minimize freeze–thaw cycling and evaporation.

• LC–MS reference solution (general):

  • Dilute DMSO stock 1:100–1:1000 into water/ACN (50:50) containing 0.1% formic acid (or 5–10 mM ammonium acetate for ESI−).
  • Filter through 0.2 µm PTFE and inject 1–10 µL depending on system sensitivity.

• Cell-free biochemical assay dosing (general):

  • Prepare serial dilutions in assay buffer maintaining ≤0.5% DMSO final. Include vehicle controls at matching DMSO.

Note: These are general guidelines. Optimize concentrations, solvent composition, and detection parameters for your specific assay and confirm identity/purity against the CoA before quantitative use.

Biological Roles

Item-specific biological function and target interactions are not provided and should not be inferred from the name alone.

General context (literature, not item-specific):

• Natural products labeled as “-side” are often glycosides. Marine-derived glycosides, including those reported from crinoids (feather stars), have been studied for ecological roles such as defense and signaling. The precise biological role of Comanthoside A at the organismal level, and any molecular targets, require confirmation from primary literature tied to the exact CAS (70938-59-9).
• In chemical biology, purified glycosides may serve as probes in phenotypic assays, membrane interaction studies, or carbohydrate-binding protein profiling. Such activities are context- and structure-dependent and should not be presumed without data.

Laboratory use notes:

• If used in cellular systems, confirm solubility and vehicle tolerance (e.g., ≤0.1–1% DMSO). Perform vehicle controls and concentration–response assessments.
• Record batch identity (CAS, SKU, lot) and analytical confirmation (LC–MS/NMR) prior to biological readouts to ensure data traceability.

No medical or clinical claims are made for this product. It is supplied strictly for research use only.

Buffer Applications

This item is not a buffering reagent and is not typically used to set or maintain pH.

Practical considerations when preparing assay buffers (general guidance):

• Dissolution: Prepare a concentrated DMSO (or MeOH) stock and dilute into the desired physiological buffer (e.g., PBS, HEPES, Tris) while vortexing to minimize precipitation. Keep final organic solvent ≤0.1–1% v/v as assay constraints allow.
• Surfactants: If precipitation occurs at working concentrations, small amounts of biocompatible surfactant (e.g., 0.01–0.05% Tween-20) can sometimes help; verify assay compatibility.
• Filtration: Use 0.22 µm filtration for particulate removal prior to biochemical assays.

For actual buffer recipes, pH ranges, and ionic strengths, select standard buffering systems appropriate to your assay; this product does not itself function as a buffer.

Green Alternatives

With limited item-specific data, solvent and process choices drive most of the environmental footprint for work involving this compound. Below are general, literature-based considerations for handling polar natural products in a greener fashion.

Greener solvent choices (general):

• Replace chlorinated solvents: Favor ethanol, methanol (with care), isopropanol, acetone, or acetonitrile over DCM/chloroform when feasible for extraction and chromatography.
• Prefer bio-based solvents: Ethanol (bioethanol) and 2-MeTHF can sometimes substitute for THF or EtOAc in workups; ensure solubility compatibility.
• Aqueous techniques: Use water-rich mobile phases and minimize organic content in analytical runs where sensitivity permits.

Comparison snapshot (general guidance, not item-specific):

• Ethanol vs Methanol: EtOH is generally greener/toxicity-favorable; MeOH may offer better solubility for very polar analytes.
• ACN vs MeOH in LC: ACN provides lower backpressure and sharper peaks; MeOH is greener but may require longer gradients.
• DMSO vs DMF: DMSO is typically preferred from a safety standpoint; both have high boiling points that burden solvent recovery.

Operational best practices:

• Scale minimization: Use micro-scale dissolution and microsampling for LC–MS to reduce solvent volumes.
• Closed systems: Employ sealed vials and low-evaporation autosampler conditions to limit emissions.
• Waste segregation: Collect high-organic, aqueous, and halogenated streams separately to improve recyclability.

Always balance green choices with analytical performance and compound stability.

Pharmaceutical Uses

No pharmacopeial status or excipient role is provided for this item. Do not construe any therapeutic or clinical application.

Research/manufacturing-relevant roles (general, not item-specific):

• Analytical reference: Can be used as a research reference material for method development (e.g., LC–MS system suitability, peak identification) when its identity is verified via CoA and orthogonal analyses.
• Impurity/degradant studies: In natural product–based leads, related glycosides can serve as markers for stability-indicating methods and forced-degradation mapping.
• Formulation screening (preclinical research): Solubility profiling in DMSO, co-solvent systems, or cyclodextrin-containing vehicles may be explored to support in vitro testing; document all vehicles and concentrations.

Regulatory note:

• Supplied strictly for research use only. Not for use in humans or animals, not an API, and not formulated to any pharmacopeial monograph. Any use in regulated workflows requires independent qualification and full analytical characterization by the end user.

Physical Properties

Item-specific physicochemical parameters are not provided in the product data.

Item-specific values:

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point, boiling point, density, refractive index, UV cutoff, logP/logD, pKa, water content, residual solvents: Not specified for this item; refer to CoA/Spec Sheet.

Literature/general expectations for glycosylated natural products (not item-specific):

• Solubility: Frequently soluble in polar organic solvents (MeOH, EtOH, DMSO) and variably soluble in water, often improved with small amounts of organic cosolvent or gentle warming/sonication.
• Polarity: High polarity is common due to multiple hydroxyls and glycosidic linkages; chromatographic behavior often favors HILIC or reversed phase with aqueous-organic gradients.
• Stability: O-glycosides can be sensitive to strong acid or strong base and prolonged high temperatures; neutral conditions and alcohol/water mixtures are commonly used for handling. Light sensitivity varies; amber storage is a prudent default.

Analytical pointers (general):

• LC–MS: ESI(+) and ESI(−) can both be informative; adduct formation (Na+, NH4+) is common for polyols. Mobile phases: water/acetonitrile with 0–0.1% FA or NH4OAc as needed.
• NMR: 1H/13C in DMSO-d6 or CD3OD are typical for glycosides; anomeric proton signals (δ 4–6 ppm) and coupling constants (J1,2) assist in assigning sugar stereochemistry.

Quality & Grades

Item-specific quality designations are not provided in the product data.

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

How to interpret and use available quality documentation:

• CoA/Spec Sheet will typically include identity confirmation (e.g., LC–MS exact mass, purity by HPLC/UPLC/ELSD, sometimes 1H NMR). In the absence of a stated grade, users should treat the material as a research-grade reference compound.
• Acceptance criteria: For screening and method-development applications, many labs target ≥95% area by HPLC/UPLC for reference materials; confirm the actual purity and method conditions on the CoA before use.
• Stabilizers/additives: If present, these will be listed on the CoA; none are specified here. Stabilizers can influence UV baseline and MS adduct patterns.

Practical guidance:

• If your application requires low-UV or LC–MS grade attributes (e.g., strict residual solvent or metal content), request extended QC information from the CoA or customer support.
• For quantitative work, verify purity and water content in-house (e.g., orthogonal HPLC and Karl Fischer) if not explicitly certified.
• Retain batch-specific documentation with your analytical data for regulatory or publication needs.

Reaction & Applications

This compound is listed as part of a small-molecule/compound library; typical applications are analytical and discovery-oriented rather than bulk synthesis.

Common research uses (general, not item-specific):

• Reference standard in natural products research: LC–MS and NMR method development, retention-time/fragmentation benchmarking, and dereplication workflows.
• Bioassay screening: Inclusion in targeted or phenotypic panels to probe structure–activity relationships (SAR). Maintain rigorous documentation of concentration and solvent composition.
• Analytical derivatization for structural elucidation (if glycosidic): per-O-acetylation to simplify carbohydrate region in NMR; methylation/permethylation for linkage analysis; mild acid hydrolysis to separate aglycone and sugar moieties for MS.

Practical tips:

• For LC–MS, compare ESI(+) and ESI(−); monitor adducts (Na+, NH4+, Cl−). Use lock-mass and isotopic patterns for formula checks when molecular weight is unknown.
• For NMR, acquire 1D/2D datasets (HSQC, HMBC, COSY, NOESY/ROESY). If solubility is limited, switch between CD3OD, DMSO-d6, and D2O with or without mild heating.
• Avoid strong acid/base and prolonged heating that can cleave glycosidic bonds (general for O-glycosides). Work at neutral pH unless hydrolysis is intended.

Document all preparative steps (drying, solvent, temperature, time) in your ELN to ensure reproducibility and facilitate cross-lab comparisons.

Reaction Conditions

No item-specific reaction conditions are provided. The following generic conditions are commonly reported for derivatizing glycosylated natural products; they are presented for planning purposes and must be validated experimentally for the actual structure associated with CAS 70938-59-9.

Common transformations (literature, general):

• Per-O-acetylation: Ac2O/pyridine (0 °C → rt, 2–16 h). Workup by quench with MeOH/H2O; purification by silica gel (use minimal base to avoid hydrolysis). Typical high conversions for polyols.
• Mild acid hydrolysis: 1–5% TFA in H2O/MeOH (rt–60 °C, 0.5–6 h) to cleave O-glycosidic bonds, yielding aglycone + sugars. Monitor by LC–MS; avoid overexposure to prevent decomposition.
• Permethylation (for linkage analysis): NaOH/DMSO with MeI under anhydrous conditions; subsequent hydrolysis/reduction/acetylation sequence; analyze by GC–MS of partially methylated alditol acetates.
• Carbamate/carbonate tagging: DSC or CDI with amines/alcohols in DMF/ACN (rt–40 °C) to install reporter groups; triethylamine as base.

Analytical conditions (general):

• LC–MS: C18 column, 0.1% FA in water (A) and ACN (B); gradient 5→95% B over 15–30 min; ESI±, HRMS for exact mass. Adjust as needed for retention.

Always conduct small-scale trials, include controls, and document temperatures, equivalents, and times in your ELN. Confirm identity and purity after each step by orthogonal methods.

Safety & Handling

Safety data specific to this item are not provided in the listing; treat as a research chemical of unknown hazard.

Item-specific hazard data:

• Signal word, H-statements, GHS classification, pictograms: Not specified for this item; refer to SDS.

General laboratory precautions:

• Intended use: For research use only.
• PPE: Wear lab coat, safety glasses, and appropriate chemical-resistant gloves. Use in a fume hood to avoid inhalation of dust or solvent vapors during dissolution.
• Hygiene: Avoid ingestion, inhalation of powders/aerosols, and skin/eye contact. Wash hands thoroughly after handling.

Handling and incompatibilities (general):

• Avoid strong acids/bases and elevated temperatures that may cleave glycosidic linkages (general consideration for glycosides). Avoid strong oxidants/reductants unless intentionally used for derivatization.
• Use dry, oxygen-free solvents only if required by your analytical or synthetic protocol; otherwise, ambient handling is usually acceptable for library samples.

First-aid overview (refer to SDS for authoritative guidance):

• Inhalation: Move to fresh air; seek medical attention if symptoms persist.
• Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical attention for persistent irritation.
• Ingestion: Rinse mouth; do not induce vomiting; seek medical advice.

Spill and disposal:

• Small spills: Absorb with inert material; collect in suitable container for disposal.
• Waste: Dispose of in accordance with institutional and local regulations; do not discharge to drains.

Solvent Selection

Because item-specific solubility is not provided, choose solvents empirically with a tiered approach suitable for polar natural products.

General strategy (literature-guided, not item-specific):

• Primary stock solvents: DMSO (anhydrous) is the most universal first choice for small-molecule libraries. Methanol or ethanol can also be effective; isopropanol sometimes improves stability.
• Aqueous work: Prepare working dilutions by serially diluting a concentrated DMSO stock into buffer or water with 0.1–5% DMSO or MeOH as cosolvent to prevent precipitation.
• pH considerations: Avoid strong acid/base if a glycosidic linkage is suspected; neutral to mildly acidic aqueous media (e.g., 0.1% formic acid for LC–MS) are commonly used for analytical runs.

Miscibility and polarity (general):

• Likely highly polar; expect good miscibility with protic solvents (MeOH, EtOH) and limited solubility in nonpolar solvents (hexanes). Acetonitrile/water gradients are standard for RP-LC.

Small comparison (general use-cases):

• DMSO: Highest solvating power for library storage; compatible with most bioassays at ≤1% v/v.
• MeOH: Good for LC–MS and sample cleanup; lower viscosity than DMSO.
• ACN/H2O: Preferred for LC separations; limited for long-term storage.

Tips:

• Use sonication and gentle warming (≤40 °C) to aid dissolution. Filter through 0.2 µm PTFE/nylon before LC–MS. Document final solvent composition for reproducibility.

Storage & Reconstitution

Storage and shipping (item-specific):

• Storage conditions: Room temperature (per product data).
• Shipped in: Normal (ambient) conditions.

Additional guidance (general best practices; not item-specific specifications):

• Protect from excessive heat, humidity, and light. Store in a tightly closed container; use desiccant if hygroscopic behavior is observed.
• For long-term sample integrity in screening collections, consider refrigerated (2–8 °C) or desiccated storage even if ambient is permitted, and minimize freeze–thaw by aliquoting.

Reconstitution (since appearance and solubility are not specified):

• Prepare a concentrated stock in anhydrous DMSO (e.g., 10–50 mM), or MeOH/EtOH if compatible. Use gentle warming (≤40 °C) and sonication to aid dissolution.
• For aqueous applications, dilute the organic stock into buffer while vortexing to avoid precipitation. Typical final organic content: 0.1–1% v/v as assay allows.
• If particles persist, filter through 0.2 µm PTFE/nylon. Record the exact solvent composition and storage time.

Stability and specifications:

• Appearance, purity, water content, and specific stability data: Not specified for this item; refer to CoA/Spec Sheet.
• Always consult the product CoA and SDS for batch-specific guidance and adhere to institutional practices for inventory management and sample tracking.

Structure & Identity

Brief item overview for professional users. This listing is for a defined small molecule in Aladdin’s compound library; detailed structure descriptors are not provided in the product data and should be confirmed from the CoA or primary literature before critical use.

• SKU: C664258
• Product name: Comanthoside A
• CAS: 70938-59-9
• Category: Small molecules & compound library
• 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.

Structural features (general literature context, not item-specific):

• The name “Comanthoside A” has been associated in literature with glycosylated natural products isolated from marine crinoids (e.g., Comanthus spp.). Specific ring systems, sugar identities, and stereochemistry should be verified against the cited CAS and supplier documentation.
• Without a structure provided here, do not assume aglycone class (e.g., steroidal, triterpenoid, or aromatic) or glycosylation pattern. Confirm via CoA/NMR/MS.

2D structural description (general guidance):

• If glycosylated, the molecule would typically feature an aglycone core bearing one or more O-glycosidic linkages to hexose/deoxyhexose units; multiple stereocenters and polyoxygenation are common. Users should obtain the structure file (SDF/MOL) from the CoA or a trusted database for actual workup and analytical methods.

Synthetic Utility

With structure not specified in this listing, detailed retrosynthetic analysis cannot be provided. The following remarks reflect general practices for glycosylated natural products and should not be taken as item-specific without confirming the exact structure.

General synthetic/derivatization utility (literature-based):

• Protecting-group chemistry: Polyhydroxylated frameworks permit selective or global protection (e.g., per-O-acetylation, benzoylation, silylation) to enable chromatographic purification and NMR simplification.
• Glycosidic bond manipulation: Mild acid hydrolysis (aq. AcOH, TFA) or methanolysis can furnish the aglycone and sugar components for characterization. Enzymatic glycosidases may offer selectivity.
• Conjugation handles: Free hydroxyls can be leveraged for carbonate/carbamate formation, biotinylation, or fluorescence tagging to generate affinity probes for pull-down or imaging assays.
• Oxidation/reduction: TEMPO/BAIB or Dess–Martin oxidations may derivatize primary/secondary alcohols; catalytic hydrogenation can reduce unsaturation if present (verify structure first).

Analytical synthesis crossover:

• Stable isotopologue-labeled derivatives (e.g., 13C/2H acetates) can assist in quantitation by LC–MS if the native standard is scarce.

Caveats:

• Complex stereochemistry demands rigorous analytical control (2D NMR, HRMS, chiroptical methods). Avoid harsh conditions that risk glycosidic cleavage unless intended.

Target Specificity

Not applicable. This product is a small molecule and not an affinity reagent or antibody. No antigen, epitope, clone, isotype, or species reactivity information applies.