O-2050 - ≥97%(HPLC) , CAS No.1883545-42-3

CAS: 1883545-42-3 Cat. No.: O287234 Formule: C23H31NO4S Poids moléculaire: 417.56
DISPONIBLE À COMMANDE
GRADE & PURITY ≥97%(HPLC)
Synonyms
(6aR,10aR)-1-Hydroxy-3-(1-Methanesulfonylamino-4-hexyn-6-yl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Allemagne (EU)
USA*
Price
Qty
10mg
O287234-10mg
Sur commande · 8–12 semaines
562,21€
Enter a quantity for the sizes you want to add.
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Why this grade

≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonymes
(6aR,10aR)-1-Hydroxy-3-(1-Methanesulfonylamino-4-hexyn-6-yl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran
Spécifications et pureté
≥97%(HPLC)
Mécanismes biochimiques et physiologiques
Originally defined as a high affinity cannabinoid CB1receptor silent antagonist. Acts as a partial agonist in inhibiting forksolin-induced cyclic AMP stimulation (EC50= 40.4 nM). Decreases food intake and stimulates locomotor activity in rodents. Antagoni
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.
Type d'action
ANTAGONIST
Pureté
≥97%(HPLC)
Noms et identifiants
Sourires canoniques
CC1=CCC2C(C1)C3=C(C=C(C=C3OC2(C)C)CC#CCCCNS(=O)(=O)C)O
IUPAC Name
N-[6-(1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl)hex-4-ynyl]methanesulfonamide
InChIKey
DJTGGIYZQHHLGJ-UHFFFAOYSA-N
INCHI
1S/C23H31NO4S/c1-16-10-11-19-18(13-16)22-20(25)14-17(15-21(22)28-23(19,2)3)9-7-5-6-8-12-24-29(4,26)27/h10,14-15,18-19,24-25H,6,8-9,11-13H2,1-4H3
Isomères SMILES
CC1=CCC2C(C1)C3=C(C=C(C=C3OC2(C)C)CC#CCCCNS(=O)(=O)C)O
Poids moléculaire
417.56
Reaxy-Rn
24244039
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24244039&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Structure 3D
Modèle de structure chimique interactif





Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
SolubilitéSolvent:ethanol, Max Conc. mg/mL: 41.76, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 41.76, Max Conc. mM: 100
Calculateurs de solution
Avis

Avis des clients

Application Protocols

No vendor-validated experimental protocols or application data are provided for this item.

General guidance for handling small-molecule library members in assays:

  • Stock preparation: Prepare a DMSO stock at a suitable concentration (e.g., 10–50 mM) based on solubility; filter if necessary with low-binding PTFE/nylon filters. Record exact concentration.
  • Aliquoting: Dispense single-use aliquots (e.g., 10–50 µL) in inert, well-sealed tubes or plates to avoid freeze–thaw cycling and moisture ingress.
  • Dilution: Immediately before use, dilute the DMSO stock into assay buffer to the final test concentration, keeping DMSO content low and consistent across wells/replicates.
  • Controls: Include vehicle controls matching the highest DMSO% used; incorporate counter-screens to detect nonspecific effects (detergent controls for aggregation, redox scavengers if relevant).

Because no item-specific performance parameters are provided, optimize conditions empirically for your assay system.

Biological Roles

No biological function or endogenous role is provided or implied for this item. It is supplied strictly as a research chemical/screening library member.

  • Endogenous occurrence: Not specified for this item; refer to literature if the structure becomes available.
  • Metabolic pathways/targets: Not specified for this item; no claims are made.

Practical guidance for research contexts (general, non-clinical):

  • When using in biochemical or cell-based assays, characterize compound interference with detection modalities (e.g., fluorescence quenching, aggregation, detergent sensitivity) before interpreting results.
  • Assess colloidal aggregation propensity using detergent controls or dynamic light scattering if unexpected inhibition profiles occur (general best practice for small molecules).
  • Confirm stability in the chosen assay buffer (pH, redox conditions) over the assay duration to prevent artifactual outcomes.

Research Use Note: For research use only. Not intended for human or veterinary use, diagnostics, or therapeutic applications.

Buffer Applications

This product is a small-molecule library compound and is not itself a buffering agent. No pKa or buffering range information is available.

  • Buffering properties: Not applicable.
  • Practical note: If dissolved in DMSO for assay use, dilute into your chosen buffer immediately before testing. Validate that the final DMSO percentage and any co-solvents do not perturb buffer capacity, pH, or detection modality.
  • For solubility troubleshooting, minor adjustments to buffer pH/ionic strength or addition of acceptable co-solvent can mitigate precipitation, but ensure these changes are consistent with assay performance requirements.
Green Alternatives

Without compound-specific solvent constraints, choose greener media where feasible, balancing solubility, stability, and assay compatibility.

Greener solvent considerations (general guidance):

  • Prefer water-based assay buffers with minimal co-solvent. Keep DMSO at the lowest workable percentage compatible with solubility and assay signal.
  • For organic handling outside bioassays, consider greener solvents such as 2-methyltetrahydrofuran (2-MeTHF), cyclopentyl methyl ether (CPME), dimethyl carbonate (DMC), propylene carbonate, ethyl acetate, or ethanol when they meet solubility/stability requirements.

Comparison snapshot (general, not item-specific):

  • DMSO: excellent solvency; good for stocks; high boiling point complicates removal; generally acceptable in small assay percentages.
  • 2-MeTHF/CPME: greener ethers; good for extractions and some reactions; limited polarity for very polar solids.
  • Ethyl acetate/ethanol: lower toxicity profiles; fast evaporation (EtOAc); broad utility; potential assay interference at higher percentages.
  • Propylene carbonate: polar aprotic with favorable safety profile; viscous and high-boiling; miscibility advantages in some systems.

Implementation tips:

  • Run a small solvent screen to identify the lowest-impact system that achieves clarity and stability over the assay timeframe.
  • Document solvent composition with each data set to ensure reproducibility and facilitate greener process improvements.
Pharmaceutical Uses

No pharmaceutical or excipient use is claimed or provided for this item. It is sold for research use only.

  • Pharmacopeial status (USP/EP/JP): Not specified for this item; refer to CoA/Spec Sheet.
  • Formulation role: Not applicable based on provided data.

If the compound later advances into pre-formulation research within your organization, generate independent data packages (solubility, pKa, logD, stability, polymorph screening) and ensure compliance with institutional governance. Such activities are outside the scope of this catalog listing and must not be inferred from the product data.

Physical Properties

Item-specific physicochemical constants were not included in the provided data. Do not assume values for method development.

  • 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/logD: Not specified for this item; refer to CoA/Spec Sheet.
  • pKa(s): Not specified for this item; refer to CoA/Spec Sheet.

General/literature-based guidance for small-molecule library members (not specific to this item):

  • Library compounds are commonly supplied as solids or as DMSO solutions. When solid, initial dissolution for screening stocks is typically attempted in anhydrous DMSO (e.g., 10–50 mM), then diluted into assay buffer immediately before use to minimize precipitation (literature practice).
  • If the compound contains ionizable groups, solubility may improve with pH adjustment of aqueous media; however, always verify compatibility with assay conditions.
  • For chromatographic method scouting (HPLC/UPLC), a generic starting point comprises C18 reversed phase with water–acetonitrile (0.1% formic acid) gradients; retention and UV response depend on the actual chromophores (general guidance).
Quality and Grades

Grade/purity were not specified for this listing; consult the CoA/Spec Sheet for exact analytical criteria and acceptance limits.

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

Guidance on typical documentation and its meaning:

  • For small-molecule library compounds, vendors often provide assay-ready quality, commonly including NMR identity, LC/UPLC purity (e.g., area %), and HRMS confirmation. Some libraries specify salt form, residual solvents, and water content (KF). These details define the usable concentration range and storage stability.
  • If “screening grade” is stated (not provided here), it generally indicates high identity confidence and chromatographic purity suitable for biochemical assays, though not necessarily trace-metal or residual-solvent optimized. For analytical or medicinal chemistry work, request full spectral data.
  • UV cutoff, residual peroxide, and metal limits: Not specified for this item; refer to CoA/Spec Sheet.

Recommendations:

  • Verify salt form and counterion content before calculating molarity.
  • Confirm purity and identity by in-house LC–MS/NMR when critical to project outcomes.
  • Record lot-specific data from the CoA for reproducibility in screening or SAR campaigns.
Reaction and Applications

Specific chemical reactivity cannot be detailed without the structure. However, as a cataloged member of a small-molecule/compound library, typical research applications include:

  • Assay development and optimization: use as a test article in biochemical, biophysical, or cell-based screening to evaluate method robustness and signal windows (no biological efficacy claims implied).
  • Reference or comparator in SAR workflows: when paired with analog series, supports structure–property exploration (solubility, stability, chromatographic behavior) and analytical method validation.
  • Analytical benchmarking: evaluate recovery, adsorption to plastics, and stability under handling conditions (freeze–thaw, light, humidity) for pipeline standardization.
  • Synthetic enablement: when the structure is disclosed, such compounds may serve as intermediates, reference standards, or calibration materials.

Practical tips (general):

  • Prepare small aliquots of DMSO stock to avoid repeated freeze–thaw. Record precise concentration from gravimetric or volumetric preparation.
  • Verify identity and purity by LC–MS prior to use in critical assays; track any degradation peaks across storage.
  • When used in plates, pre-wet tips and minimize compound residence time in aqueous buffer to reduce precipitation of hydrophobic entities.

Because we lack functional group information, we do not recommend any specific named reactions or derivatizations for this item.

Reaction Conditions

Not applicable to this listing without structural information. No reaction-class recommendations (e.g., coupling, reduction, cycloaddition) can be made for the specific item.

If the structure becomes available, select conditions based on functional group compatibility, considering:

  • Solvent, temperature, and catalyst/ligand systems appropriate to the electrophile/nucleophile set.
  • Stability toward acid/base, redox, and heat.
  • Workup and purification aligned with the compound’s polarity and volatility.

Until then, no item-specific conditions, yields, or substrate scope can be responsibly provided.

Safety and Handling

No GHS hazard classification or signal word was provided for this specific item. Always consult the product SDS for authoritative safety information before use.

  • GHS/CLP: Not specified for this item; refer to SDS.
  • Signal word / P-statements / H-statements / pictograms: Not specified for this item; refer to SDS.

General laboratory handling (good practice):

  • Use in a chemical fume hood; avoid inhalation of dust/aerosols and skin/eye contact.
  • Recommended PPE: lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). For weighed powders, consider a mask or use a ventilated balance enclosure.
  • Avoid incompatibilities typical for organic compounds: strong oxidizers, strong acids/bases, and ignition sources if solvent-borne. Without structural information, treat as potentially harmful.
  • First aid (summary; defer to SDS): rinse eyes cautiously with water for several minutes; wash skin with soap/water; if inhaled, move to fresh air; if ingested, rinse mouth—seek medical attention as needed.
  • Spill response: absorb liquids with inert material; for solids, gently sweep/HEPA vacuum while minimizing dust. Dispose of waste in accordance with institutional and local regulations.
  • Transportation and shipping: Shipped on cold packs as indicated; keep container upright and sealed to prevent leaks/contamination.
Solvent Selection

Because structure and solubility are not specified, select solvents using a tiered approach typical for screening compounds.

Suggested workflow (general guidance):

  • Primary solvent: Anhydrous DMSO for preparing concentrated master stocks (e.g., 10–50 mM), due to its broad solvating power and assay compatibility at low final percentages.
  • Secondary options for stubborn solids: DMF, NMP, or mixtures (DMSO:water, DMSO:acetonitrile). Evaluate assay tolerance and potential interference.
  • Aqueous use: Dilute DMSO stocks into buffer immediately before the assay. Keep final DMSO ≤0.5–1% v/v when possible to minimize biological assay artifacts (assay-dependent).
  • Volatile organic alternatives for synthetic use: acetonitrile, ethyl acetate, methanol, THF—selection depends on actual functional groups (not provided for this item).

Miscibility and polarity notes (general):

  • DMSO is miscible with water and most organics, aiding plate-based dilutions and serial titrations.
  • If precipitation occurs on dilution, add a small co-solvent fraction (e.g., acetonitrile) or adjust buffer pH/ionic strength as assay permits.

Analytical considerations:

  • For LC–MS, DMSO carryover may suppress ionization; minimize injection of DMSO-rich samples or dilute into acetonitrile/water with acid modifier (e.g., 0.1% formic acid) immediately prior to analysis.
Storage and Reconstitution

Storage and shipping details are provided; additional reconstitution specifics depend on your application.

  • Storage conditions: Store at −20°C (as provided). Protect from moisture and light as a general precaution for small organic molecules. Keep tightly closed.
  • Shipped in: Ice chest + ice pads (as provided) to maintain a cool chain.
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Reconstitution (general guidance for library compounds):

  • For solids: Allow vial to equilibrate to room temperature in a desiccator before opening to avoid condensation. Weigh quickly and prepare concentrated stock in anhydrous DMSO. Vortex and, if needed, sonicate briefly. Avoid heating unless stability is verified.
  • For solutions: Inspect for particulates/precipitate; warm gently to ambient and mix thoroughly. If supplied in DMSO, avoid introducing water. Record the exact concentration from the label/CoA.
  • Aliquoting: Prepare single-use aliquots to minimize freeze–thaw. Store aliquots at −20°C in tightly sealed, inert containers. For extended storage, consider −80°C after confirming stability.
  • Freeze–thaw: Minimize cycles; thaw on ice or at room temperature; do not refreeze partially thawed aliquots multiple times.

Stability limits, water content, and solvated form: Not specified for this item; refer to CoA/Spec Sheet.

Structure and Identity

Brief overview: This listing corresponds to a small-molecule library member (SKU O287234; catalog name O-2050) intended for research/screening use. Item-specific structural identifiers are largely not disclosed in the product data provided.

  • SKU: O287234 (catalog name: O-2050)
  • CAS: 1883545-42-3 (as provided)
  • PubChem CID: 11212235 (as provided)
  • InChIKey: 65307 (as provided)
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.
  • Chemical Name: 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 features (general guidance):

  • Without a disclosed structure (SMILES/InChI/MF), functional groups, ring systems, and stereochemistry cannot be delineated for this specific item.
  • If structural data are needed for computational work (docking, QSAR) or analytical method development, request the compound structure (SDF/SMILES) and specification sheet from the CoA package.

2D structure description:

  • Not available from the provided data. If structural depiction is required, obtain the vendor-supplied SDF or draw from the provided SMILES once available to confirm valence, heteroatom placement, and potential ionization sites.
Synthetic Utility

Without a disclosed structure, we cannot provide specific functional group reactivity or named-reaction compatibility for this item.

General considerations if structural data become available:

  • Identify dominant functional groups (e.g., aryl halides, nitriles, amides, heteroaromatics) to plan cross-couplings, reductions/oxidations, or protective-group strategies.
  • Verify stability under common workups (acid/base, hydrogenation, oxidative quench) and chromatography conditions (silica, alumina, reverse phase) before scale-up.
  • For analog synthesis, map potential diversification handles and consider convergent routes to enable SAR.

At present, treat this compound primarily as a screening/reference molecule rather than a synthetic intermediate.

Target Specificity

This product is not an antibody, protein, or probe with defined biological target specificity in the provided data.

  • Target/epitope: Not specified for this item; no claims are made.
  • Species reactivity / isotype / clone: Not applicable.

If used as a screening compound, any inferred target engagement should be independently validated using orthogonal assays and controls; no target-specific claims are associated with this catalog entry.

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