LCS-1 - Moligand™, 10 mM in DMSO , CAS No.41931-13-9

CAS: 41931-13-9 Cat. No.: L1494909 分子式: C₁₁H₈Cl₂N₂O 分子量: 255.1

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

LCS-1 is a superoxide dismutase 1 ( SOD1 ) inhibitor. LCS-1 inhibits SOD1 activity with an IC 50 value of 1.07 μM. LCS-1 induces the early- and late-stage apoptosis of multiple myeloma (MM.1S) cells.

Specifications

仕様と純度

Moligand™, 10 mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

名前と識別子

• 異性体SMILES: CC1=CC(=CC=C1)N2C(=O)C(=C(C=N2)Cl)Cl
• UN番号: 2811
• 包装グループ: III
• 分子量: 255.1
• Reaxy-Rn: 790931
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=790931&ln=

化学的性質と物理的性質

• 屈折率: n20D1.63 (Predicted)
• 沸点（°C）: ~339.6° C at 760 mmHg (Predicted)
• 融点（°C）: 117° C

参考文献

1. Renzheng Zhang, Xian Guo, Chunnian Liang, Jie Pei, Pengjia Bao, Mancai Yin, Fude Wu, Min Chu, Ping Yan.  (2022)  Identification and Validation of Yak (Bos grunniens) Frozen–Thawed Sperm Proteins Associated with Capacitation and the Acrosome Reaction.  JOURNAL OF PROTEOME RESEARCH,      [PMID:36251486] [10.1021/acs.jproteome.2c00528]

Application Protocols

The following are general, non–item-specific protocols suitable for small-molecule screening compounds like LCS-1. Adapt to your assay and consult the CoA/Spec Sheet for any item-specific constraints.

• Preparing DMSO stock: Warm DMSO to room temperature. Add compound to achieve 10–50 mM. Vortex and, if needed, sonicate briefly. Inspect for clarity. Filter through 0.22 μm PTFE if compatible and adsorption is minimal.
• Aliquoting: Dispense into low-bind tubes/plates at single-use volumes (e.g., 10–50 μL). Store at −80°C. Record lot, concentration, date.
• Working dilutions: Prepare intermediate DMSO dilutions to minimize aqueous precipitation. Add to buffer with mixing to reach final DMSO 0.1–1% v/v or per assay tolerance.
• Plate handling (HTS): Use acoustic or pin-tool transfer for nanoliter additions. Include vehicle-only and positive/negative controls. Randomize plate layout to reduce positional bias.
• Aggregation control: Include 0.01–0.05% non-ionic detergent where compatible; monitor by light scattering or counterscreens.
• Stability checks: Reassess potency after storage using fresh aliquots. Track any loss of activity that may indicate degradation or adsorption.

Note: No item-specific tested applications, recommended concentrations, or positive controls are provided in the Product Data.

Biological Roles

Item-specific biological targets, pathways, or modes of action are not provided in the Product Data for LCS-1. Therefore, no claims are made here about its biological role.

General considerations for small-molecule tools:

• Putative roles for screening hits should be treated as hypotheses until confirmed by target engagement studies (e.g., CETSA, pull-down with chemoproteomic handles) and genetic controls (knockdown/knockout/overexpression).
• Off-target assessment: Incorporate counterscreens against common assay interference pathways (redox cycling, PAINS motifs, colloidal aggregation) and run concentration–response with proper vehicle controls.
• ADME-relevant traits: If biological studies are intended, characterize permeability (e.g., PAMPA/MDCK), solubility across pH, chemical stability in assay media, and redox/photostability. These are general best practices and are not specific to this item.

Reminder: This product is for research use only. It is not intended for diagnostic or therapeutic applications.

Buffer Applications

LCS-1 is not a buffer component. However, practical buffer considerations apply when dosing small-molecule stocks into biological or biochemical assays.

General guidance:

• Vehicle control: Match the final DMSO concentration in all wells/tubes (e.g., 0.1–1% v/v) to isolate compound effects from vehicle effects.
• Precipitation control: Add the DMSO stock to buffer while vortexing; consider including 0.01–0.05% non-ionic surfactant to limit aggregation and precipitation when compatible with the assay.
• Common buffers: PBS, HEPES, Tris, or assay-specific proprietary buffers. No item-specific pKa or buffer capacity data are available for LCS-1.
• Filtration: When permissible, 0.22 μm filtration of working solutions can remove particulates; verify compound recovery to avoid adsorption losses.

Not specified for this item: any buffer-formulation role, pH range, or ionic-strength considerations. Refer to your assay SOP and the CoA/Spec Sheet for compatibility notes.

Green Alternatives

As LCS-1 is intended for screening and assay use, green-chemistry considerations primarily concern solvent choice and waste minimization rather than reaction replacement.

Greener handling options (general):

• Prefer DMSO over DMF/NMP where feasible due to improved toxicity profile and lower regulatory burden.
• Use ethanol or aqueous cosolvent systems when compatible with assay performance to reduce reliance on high-boiling aprotic solvents.
• Miniaturize assays (low microliter volumes) to reduce solvent consumption and waste.
• Implement closed, automated dispensing to minimize evaporative losses and operator exposure.

Illustrative comparison (general):

• DMSO: High solubility capacity; fully miscible with water; widely accepted in HTS; relatively benign compared to DMF/NMP.
• DMF/NMP: Strong solvents but higher health and environmental concerns; reserve for difficult solubilization only.
• Ethanol/IPA: Renewable feedstock potential; higher volatility aids solvent recovery; limited solubility envelope.

Waste management:

• Segregate halogenated from non-halogenated waste (if any halogenated cosolvents are used in analytics). Consolidate DMSO-containing waste streams for appropriate disposal.

Note: No greener “chemical substitute” is relevant here because LCS-1 is the analyte/ligand rather than a process reagent.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is specified for this item. LCS-1 is supplied strictly for research use only and is not intended for human or veterinary applications.

General information (non-clinical):

• In early discovery labs, small molecules like LCS-1 may be evaluated as tool compounds in target validation or SAR studies. Any data generated at this stage are preclinical and exploratory.
• If considering formulation-like studies for in vivo research, perform full compound characterization (identity, purity, stability, solubility, pKa, logP, excipient compatibility). None of these parameters are provided for this item in the current listing; consult the CoA/Spec Sheet.

Compliance note: No therapeutic claims are made. This product is not produced under GMP and is not suitable for clinical use.

Physical Properties

• Physical state/appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (literature/computed): Not available in this listing; consult primary databases with CAS 41931-13-9 for reference values.
• Boiling point (literature): Not available in this listing.
• Density (literature): Not available in this listing.
• Refractive index (literature): Not applicable unless in liquid form; not available in this listing.
• LogP/logD, pKa (literature/computed): Not available in this listing.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet. General practice for screening compounds is to prepare stocks in anhydrous DMSO (e.g., 10–50 mM) and dilute into assay buffers keeping final DMSO ≤0.1–1% v/v to minimize vehicle effects (general guidance).

Notes for practitioners (general guidance):

• If solubility is uncertain, perform a small-scale solubility screen in DMSO, DMF, ethanol, and aqueous buffer containing co-solvent (0.2–1% DMSO or 0.01–0.05% non-ionic surfactant) as permitted by the assay.
• Verify solution clarity by visual inspection and, if needed, by nephelometry or light scattering before use.

Quality and Grades

• Supplied grade: Moligand™ (as listed). Moligand™ designates compounds curated for small-molecule screening, ligand discovery, and probe development workflows.

What Moligand™ implies (general description):

• Emphasis on identity and suitability for discovery biology/chemistry, typically supporting preparation of DMSO stocks for HTS, target engagement assays, chemoproteomics, or phenotypic screens.
• Documentation: CoA/Spec Sheet generally includes identity confirmation (e.g., NMR/LC–MS/HRMS where applicable) and purity by chromatographic methods suitable for screening. Item-specific purity percentage, stabilizers, metal/peroxide limits, and UV cutoffs are Not specified for this item; refer to CoA/Spec Sheet.
• Lot-to-lot traceability with storage/shipping controls to preserve material integrity for research use.

What this listing does not include:

• Any clinical/medical claims or GMP status (not intended for human or veterinary use). No pharmacopeial designation is implied.

Practical guidance:

• Verify purity and identity against your assay’s tolerance to impurities (e.g., LC–MS peak purity thresholds for HTS vs. mechanistic studies).
• If your workflow is spectroscopy-sensitive (UV detection), request UV cutoff and impurity profile from the CoA/Spec Sheet before HPLC assay deployment.

Reaction and Applications

This item is supplied as a screening/ligand-discovery small molecule rather than a synthetic reagent. Consequently, it is not typically used as a solvent or classical reagent in named organic reactions.

Research applications (general for library compounds):

• Chemical biology: Probe discovery, target engagement assays (e.g., thermal shift, CETSA, DARTS) after suitable validation steps.
• Phenotypic screening: Cell-based or organismal assays to identify bioactive chemotypes; follow-up includes SAR, orthogonal counter-screens, and mechanism-of-action studies.
• Biophysical assays: Binding assessment by SPR, DSF, MST, ITC where solubility and aggregation controls are essential.

Practical tips (general):

• Avoid colloidal aggregation artifacts by including low concentrations of detergent (e.g., 0.01% Tween-20) and by running detergent-sensitive counterscreens.
• Confirm on-target effects with orthogonal readouts and inactive analogs where available.
• For photolabile scaffolds (unknown here), handle under reduced light as a precaution until stability is verified.

Note: No item-specific reactivity or named-reaction roles are provided in the Product Data; consult the CoA/Spec Sheet for any structural alerts (e.g., Michael acceptors, redox-active moieties) that may influence assay design.

Reaction Conditions

Not typically applicable. LCS-1 is not provided as a reagent for chemical synthesis, and no reaction-condition recommendations (solvent, temperature, catalysts, or yields) are specified for this item.

General practice for handling solutions (not synthetic reactions):

• Prepare concentrated DMSO stocks (e.g., 10–50 mM), store as frozen aliquots at −80°C, and avoid repeated freeze–thaw.
• Thaw on ice, mix thoroughly before dispensing, and keep final vehicle level consistent across samples.

For any planned chemical modification of LCS-1, determine the structure first via CoA/Spec Sheet and consult primary literature for reaction condition design based on the actual functional groups present.

Safety and Handling

GHS classification and specific hazards: Not specified for this item; refer to the SDS for authoritative safety information.

General laboratory safety (good practice):

• PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves. Handle powders/solutions in a fume hood to avoid inhalation or aerosol exposure.
• Avoid contact with skin and eyes; avoid inhalation of dust or vapors. Wash thoroughly after handling.
• Storage incompatibilities: In the absence of structure-specific data, segregate from strong oxidizers and strong acids/bases. Keep tightly sealed, moisture-free, and protected from light as prudent practice.
• Spill/accidental release: Contain solids with damp disposable towels or spill pads; for solutions, absorb with inert material. Dispose according to institutional and local regulations.
• First aid (overview; defer to SDS): In case of eye/skin contact, rinse with water for at least 15 minutes and seek medical attention if irritation persists. If inhaled, move to fresh air. If ingested, rinse mouth; do not induce vomiting; seek medical advice.
• Waste: Collect in properly labeled organic waste compatible with DMSO/organic solvents if used as vehicle.

Handling notes for screening compounds (general):

• Minimize freeze–thaw cycles of DMSO stocks; aliquot on first thaw. Use low-binding tips/vials to reduce adsorption losses for hydrophobic compounds.

Solvent Selection

Because item-specific solubility data are not provided, select solvents using standard practices for small-molecule screening compounds.

Primary choices (general guidance):

• DMSO (anhydrous): First-line vehicle for stock solutions (e.g., 10–50 mM). Broad solvating power, chemically inert toward most scaffolds, compatible with automated dispensing.
• DMF or NMP: Backup options for particularly hydrophobic or crystalline compounds; consider cytotoxicity and assay compatibility.
• Ethanol or isopropanol: Useful for biochemical assays where lower DMSO is required; pre-test tolerance in living systems.

Aqueous handling:

• Prepare a DMSO stock, then dilute into buffer with vigorous mixing to avoid precipitation. Keep final DMSO ≤0.1–1% v/v depending on assay tolerance.
• If precipitation occurs on dilution, consider: reducing final concentration, increasing temperature mildly, adding non-ionic surfactant (e.g., 0.01–0.05% Tween-20 or Pluronic F-127), or cosolvent up to the assay’s maximum vehicle allowance.

Miscibility and polarity (general):

• DMSO is fully miscible with water and common organics, enabling straightforward serial dilutions.

Comparison (general):

• DMSO vs. DMF: DMSO usually preferred for biocompatibility and lower volatility; DMF reserved for tough solubilization cases.
• DMSO vs. ethanol: Ethanol can be preferable for certain cell assays but has narrower solubilization range.

Storage and Reconstitution

• Storage conditions (from Product Data): Store at −80°C. Maintain under dry, sealed conditions. Protect from repeated freeze–thaw.
• Shipping (from Product Data): Shipped on dry ice packs + cold packs to preserve integrity during transit.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Reconstitution (general guidance for screening compounds):

• Preferred solvent: Anhydrous DMSO for primary stocks (e.g., 10–50 mM). If solubility is limited, try DMF, NMP, or ethanol with caution and assay compatibility checks.
• Technique: Allow vial to equilibrate to room temperature in a desiccated environment before opening to prevent moisture condensation. Weigh quickly, cap promptly.
• Aliquoting: Prepare single-use aliquots immediately after dissolution; store at −80°C. Avoid frost-free freezers. Use low-bind consumables.
• Freeze–thaw: Minimize cycles. Thaw on ice or at 4°C, mix gently, and promptly return unused aliquots to −80°C.
• Stability: Item-specific stability, hygroscopicity, and photostability are Not specified for this item; refer to CoA/Spec Sheet. As a precaution, store protected from light until stability is confirmed.

Research Use Note: For research use only.

Structure and Identity

Brief overview: LCS-1 is supplied as a research small molecule within Aladdin’s Moligand™ collection for screening and probe-development workflows.

• SKU: L1494909
• Product name: LCS-1
• CAS: 41931-13-9 (identifier only; structural details not provided in this listing)
• PubChem CID: 779573 (identifier only)
• 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 note):

• Item-specific functional groups, ring systems, and stereochemical descriptors are not provided in the Product Data. For exact 2D structure, consult the CoA/Spec Sheet or authoritative databases using the CAS or CID identifiers.
• As a small-molecule library member, LCS-1 is typically handled as a neat solid or concentrated DMSO solution for biochemical/phenotypic assays (general practice).

Synthetic Utility

This product is offered as a screening compound rather than a building block or reagent, and thus it is not typically used as a substrate, catalyst, or solvent in synthetic transformations.

General note for chemists:

• If derivatization or probe synthesis is planned, obtain the full structure and functional group inventory from the CoA/Spec Sheet or by consulting database records via CAS 41931-13-9/CID 779573, then design routes accordingly (protecting-group strategy, handle-sensitive moieties, etc.).
• Prior to scale-up, assess stability to common conditions (acid/base, redox, heat, light) and the presence of reactive motifs (e.g., aldehydes, anhydrides, Michael acceptors) that may complicate functionalization. These details are not specified for this item.

Conclusion: No item-specific synthetic utility can be detailed without the disclosed structure; treat LCS-1 as an end-use screening molecule.

Target Specificity

No target, pathway, or selectivity profile is provided in the Product Data for LCS-1. Do not infer biological targets from the name alone.

Guidance for users (general):

• Establish target specificity empirically using orthogonal assays (e.g., biochemical potency vs. cellular efficacy), genetic perturbation (KO/KD/OE), and binding/engagement techniques (SPR, ITC, CETSA, photoaffinity labeling where appropriate).
• Characterize off-target profile with selectivity panels and ADME/tox counterscreens as warranted by your project.

Item-specific antigen/epitope/clone/isotype fields are not applicable to small molecules and are not provided.