DCVC - 10mM in DMSO , CAS No.13419-46-0

CAS: 13419-46-0 Cat. No.: D656825 Summenformel: C₅H₇Cl₂NO₂S Molekulargewicht: 216.09 PubChem CID: 16738704

QUALITÄT & REINHEIT 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

DCVC (S-[(1E)-1,2-dichloroethenyl]--L-cysteine) is a bioactive metabolite of trichloroethylene (TCE). DCVC inhibits pathogen-stimulated pro-inflammatory cytokines IL-1β, IL-8 , and TNF-α release from tissue cultures.

In Vitro

Extraplacental membranes are cultured for 4, 8, and 24h with the trichloroethylene (TCE) metabolite S-(1,2-dichlorovinyl)-l-cysteine (DCVC) in the absence or presence of lipoteichoic acid (LTA) or lipopolysaccharide (LPS) to simulate infection. In addition, membranes were cocultured with DCVC and Group B Streptococcus (GBS). DCVC (5-50μM) significantly inhibited LTA-, LPS-, and GBS-stimulated cytokine release from tissue cultures as early as 4h. DCVC inhibits pathogen-stimulated cytokine (IL-1β, IL-8, and TNF-α) release in a concentration-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Spezifikationen

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

DCVC (S-[(1E)-1,2-dichloroethenyl]--L-cysteine) is a bioactive metabolite of trichloroethylene (TCE). DCVC inhibits pathogen-stimulated pro-inflammatory cytokines IL-1β, IL-8 , and TNF-α release from tissue cultures.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Isomere SMILES

C([C@@H](C(=O)O)N)S/C(=C\Cl)/Cl

PubChem CID

16738704

Molekulargewicht

216.09

Application Protocols

No vendor-validated protocols are supplied for this SKU. The following general practices are offered for small-molecule screening compounds; tailor to your assay and the confirmed structure.

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM as solubility allows. Vortex and, if needed, sonicate briefly. Optionally 0.2 µm PTFE filter if fully soluble and stable.
• Aliquoting: Dispense single-use aliquots (e.g., 10–50 µL) in low-bind tubes or 384-well source plates; store at −80°C. Avoid repeated freeze–thaw cycles.
• Working solutions: Dilute into assay buffer to the desired concentration; keep final DMSO at assay-tolerated levels (commonly ≤0.1–1% v/v). Prepare fresh daily unless stability is documented.
• Controls: Include vehicle controls, positive controls (known actives), and counter-assays for assay interference (e.g., fluorescence quenchers/enhancers, redox cycling tests).
• Documentation: Record lot number, preparation date, solvent, and storage history. Attach LC–MS chromatograms for identity/purity confirmation when feasible.

These procedures are general and should be validated in your laboratory context.

Biological Roles

No specific biological function can be assigned without confirming the exact structure. The acronym “DCVC” is ambiguous in the literature and may refer to different chemotypes across subfields.

Guidance for researchers:

• Confirm the identity via CAS 13419-46-0 and PubChem CID 16738704, then survey primary literature to determine any endogenous relevance, pathway interactions, or known target engagement, if applicable.
• If the compound is exogenous and used solely as a probe or screening member, treat it as a tool compound without assumed physiological role until validated in your system.
• For cellular assays, perform preliminary cytotoxicity profiling across the intended concentration range (e.g., CellTiter-Glo/Resazurin) to establish a safe operating window prior to mechanistic studies.
• If ionizable or reactive functional groups are present (confirm from structure), assess potential covalency or redox cycling using appropriate counterscreens to avoid misattribution of biological effects.

All uses are for research only. No clinical or diagnostic applications are supported or implied.

Buffer Applications

Buffer formulation guidance is not typically applicable to an unspecified small-molecule library member. Optimal buffer composition depends on the compound’s ionization state and stability profile, which require the confirmed structure.

General recommendations:

• After retrieving the structure (CAS/CID), estimate pKa to select buffer pH that maintains compound solubility and target-relevant ionization.
• Common screening buffers: 50 mM HEPES or Tris (pH 7.4–8.0) for enzymology; 10–20 mM phosphate (pH 6.5–7.4) for binding assays; include 0.01–0.05% Tween-20 to mitigate nonspecific adsorption/aggregation when appropriate.
• Keep final DMSO ≤0.1–1% v/v in biochemical assays and ≤0.1–0.5% v/v in sensitive cell-based assays, as tolerated.

For precise recipes and pH ranges, tailor to the confirmed functional groups and assay modality.

Green Alternatives

Without item-specific solvent and reactivity requirements, green chemistry considerations focus on solvent minimization and safer choices during handling and assay preparation.

• Stock preparation: Use the minimum DMSO necessary to achieve clear solutions at the required screening concentration. Consider 100% water or buffered systems if the confirmed structure supports adequate aqueous solubility.
• Alternative solvents (general guidance):
  • Replace DMF with ethanol or water–ethanol mixtures for non-sensitive biochemical assays when solubility allows.
  • Prefer acetonitrile over chlorinated solvents for sample preparation and LC applications when compatible.
  • Explore 2-methyltetrahydrofuran (2-MeTHF) or Cyrene in synthetic contexts only after confirming structural compatibility—recognizing this SKU is primarily for screening, not synthesis.
• Process intensification: Miniaturize assays (384/1536-well formats) to reduce solvent volumes and waste.
• Waste management: Segregate DMSO-containing aqueous waste; avoid halogenated solvents unless dictated by the confirmed structure.

Tradeoffs (general): Greener solvents may reduce solubility or alter assay performance; validate activity, signal window, and stability upon substitution. Always prioritize data integrity while reducing environmental footprint.

Pharmaceutical Uses

No pharmacopeial or excipient status is provided for this SKU, and it is offered strictly for research use only.

• Regulatory status: Not specified for this item; refer to CoA/Spec Sheet. No USP/EP monograph information is provided.
• Formulation role: Not defined for this product. If used as an internal research reference or analytical standard, document concentration, solvent, and stability per internal SOPs.
• Manufacturing/CMC context (general): If the compound later advances as a tool standard in internal workflows, establish a qualified reference standard with stability-indicating methods (LC–MS/UPLC) and impurity acceptance criteria.

No therapeutic claims or clinical applications are made or supported. All uses are limited to research and development in appropriately controlled laboratory environments.

Physical Properties

Item-specific physicochemical properties have not been provided in the Product Data. Do not infer values from the acronym alone.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting/Boiling Point: Not specified for this item; refer to CoA/Spec Sheet.
• Density/Refractive Index: Not specified for this item; refer to CoA/Spec Sheet.
• pKa/logP/logS: Not specified for this item; refer to CoA/Spec Sheet.
• UV-Vis characteristics (cutoff/ε): Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general/literature-style, not item-specific):

• For small-molecule library compounds of unknown aqueous solubility, initial dissolution is commonly attempted in anhydrous DMSO (10–50 mM stock), followed by dilution into assay buffer (final DMSO ≤0.1–1% v/v, as assay-tolerated).
• Confirm solubility visually and, if possible, by analytical LC or nephelometry at the intended working concentration.
• If the PubChem CID indicates ionizable groups, estimate pKa (e.g., via in-silico tools) to select buffer pH that favors the desired ionization state for permeability or target binding.
• If the structure includes photosensitive motifs (azo, nitroaryl, polyenes), protect from light; if thiols/aldehydes are present, consider headspace control and minimal oxygen exposure.

Always treat any literature/computed values as planning aids and verify experimentally for this specific SKU.

Quality and Grades

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

Guidance on interpreting quality for library compounds (general):

• Purity metric: Vendors typically report HPLC/UPLC area % and/or qNMR. Verify whether purity is reported on an anhydrous, solvent-free basis; trace residual solvents or salts can influence bioassay results.
• Identity: LC–MS (accurate mass), 1H NMR, and occasionally 13C NMR are standard. For isomeric/tautomeric species, 2D NMR or chiral HPLC may be needed.
• Stabilizers: If present (e.g., acid scavengers, antioxidants), they will be noted on the CoA; such additives can confound biological assays. For this SKU, stabilizers are Not specified for this item; refer to CoA/Spec Sheet.
• Batch-to-batch control: Record lot number with each experiment; minor impurity changes can alter assay outcomes. Retain an archival analytical trace (LC–MS) for reproducibility.
• Water/peroxide/metal content, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

Use case alignment:

• For screening: ≥90–95% HPLC purity is commonly acceptable; for SAR or probe development, target ≥98% with well-defined stereochemistry.
• If the compound is moisture/air sensitive (determine from structure), request fresh lot or handle under inert atmosphere.

Always defer to the item-specific CoA for definitive specifications.

Reaction and Applications

This SKU is categorized as a small-molecule/compound library member intended primarily for discovery screening and method development rather than as a synthetic reagent. No manufacturer application notes were provided.

Potential research applications (general, contingent on structure verification via CAS/CID):

• High-throughput screening (HTS) and hit triage in biochemical or cell-based assays.
• Mechanism-of-action studies, chemogenomic profiling, and phenotypic screening.
• Analytical method development: LC–MS method qualification, retention time indexing, and matrix effect assessments using representative small molecules.
• Metabolism/stability assessments: microsomal or hepatocyte incubations to profile intrinsic clearance and metabolite formation (once structure is confirmed).

Practical tips:

• Prepare concentrated DMSO stocks (e.g., 10 mM), filter if soluble and stable, and aliquot to avoid freeze–thaw.
• Verify identity/purity by LC–MS before committing to large screens; run orthogonal confirmation (e.g., qNMR) on hits.
• Monitor for aggregation using detergent-based counterscreens or DLS, especially for hydrophobic/planar scaffolds.
• Track lot and storage history; small stability differences can shift SAR or activity flags.

Because the precise functional groups are unknown from the provided data, do not assume reactivity or assign mechanistic roles until the structure is confirmed from CAS/CID.

Reaction Conditions

No reaction conditions can be responsibly recommended without the confirmed structure and functional group profile of this SKU.

General planning notes (applicable once structure is verified via CAS/CID):

• If the molecule contains acid/base-sensitive moieties, maintain neutral to mildly buffered conditions and avoid strong acids/bases during handling.
• For any proposed covalent chemistry (e.g., with electrophiles/nucleophiles), run small-scale scouting experiments and track reaction progress by LC–MS.
• Photostability/oxidation: If conjugated or heteroatom-rich, protect from light and oxygen during reactions and workup.

Because this product is supplied primarily as a research-screening molecule, not a reagent, prioritize characterization and stability studies in your chosen solvent system rather than synthetic manipulation.

Safety and Handling

Hazard classification data have not been supplied for this SKU.

• GHS Classification: Not specified for this item; refer to SDS.
• Signal Word/H-Statements/Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions for small molecules (non-item-specific):

• PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (typically disposable nitrile). Use a certified chemical fume hood during weighing and solution prep.
• Avoid inhalation of powders/aerosols and skin/eye contact. Prevent environmental release; collect waste in suitably labeled containers following institutional procedures.
• Incompatibilities: Without a confirmed structure, avoid strong oxidizers/reducers, strong acids/bases, and reactive metals until compatibility is known. Segregate from foodstuffs and from light/air/moisture if degradation is suspected.
• First aid (overview; defer to SDS): rinse eyes/skin with water for ≥15 minutes upon contact; move to fresh air upon inhalation exposure; seek medical attention if symptoms occur.
• Analytical verification: On receipt, consider recording LC–MS and/or NMR for identity/purity confirmation, especially before in vivo-adjacent or GLP-like work.

Always consult the product’s SDS for authoritative safety information and implement a hazard assessment based on the confirmed structure (via CAS/CID).

Solvent Selection

Because item-specific solubility and functional groups are not provided, select solvents based on small-molecule library best practices.

• Primary stock solvent (general): Anhydrous DMSO is the default for discovery libraries due to broad solvating power and biological compatibility at low % v/v.
• Secondary options: DMF, acetonitrile, ethanol, or aqueous buffers with co-solvent. Choose based on the confirmed structure (via CAS/CID) and predicted polarity/ionization.
• Aqueous work: If the structure bears ionizable groups, adjust pH to favor solubility (acidic buffers for bases; basic buffers for acids). Use low-binding plastics or silanized glass to limit adsorption for lipophilic compounds.
• Degassing/oxygen: If the structure contains readily oxidized motifs (e.g., phenols, anilines, thiols), prepare solutions under inert gas and include antioxidants only if compatible with your assay.

Comparison (general guidance):

• DMSO vs DMF: DMSO has better biocompatibility at low % but higher viscosity; DMF can enhance solubility of very polar/aggregating analytes but is less favored in live-cell contexts.
• MeCN vs EtOH: MeCN is low viscosity and LC-MS friendly; ethanol offers better biological tolerance but can affect membrane permeability and enzyme activities.

Action item: Confirm solvent compatibility with your assay system and validate solubility/clarity at working concentrations prior to screening.

Storage and Reconstitution

• Storage Conditions (from Product Data): Store at −80°C.
• Shipping (from Product Data): Shipped on dry ice packs + cold packs.

Reconstitution and handling guidance (general for small molecules; verify with CoA and confirmed structure):

• Upon receipt: Keep frozen at −80°C. Allow containers to equilibrate to room temperature in a desiccator before opening to minimize moisture condensation.
• Reconstitution: Prepare concentrated stock in anhydrous DMSO (e.g., 10–50 mM) unless the confirmed structure indicates superior alternatives. If aqueous stocks are feasible, use degassed, filtered buffer and confirm stability.
• Aliquoting: Prepare single-use aliquots to avoid freeze–thaw; store aliquots in inert-atmosphere vials if oxygen- or moisture-sensitive.
• Light/air sensitivity: If the structure suggests photosensitivity or easy oxidation, protect from light (amber vials/foil) and purge headspace with nitrogen/argon.
• Stability monitoring: Periodically check by LC–MS/UPLC for degradation, especially after >6 months of storage or if thawed multiple times.
• Working solution shelf life: In the absence of item-specific data, prepare fresh daily and discard unused portions after the experiment.

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

Structure and Identity

This entry is listed under the shorthand name “DCVC” and is part of a small‑molecule/compound library offering. Because the item-specific structure is not disclosed in the provided Product Data, users should identify the exact structure from the CAS and/or CID before experimental use.

• CAS: 13419-46-0 (authoritative identifier for this SKU)
• PubChem CID: 16738704 (authoritative structure reference)
• Preferred Name: Not specified for this item; refer to CoA/Spec Sheet.
• Synonyms/Abbreviations: “DCVC” is an acronym used for multiple chemicals in the literature; verify identity against the CAS/CID above before use.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general guidance):

• Because “DCVC” is an ambiguous acronym across subfields, do not assume functional groups or stereochemistry from the name alone. Pull the 2D structure from the PubChem CID above and confirm ring systems, heteroatoms, and any chiral centers prior to method development.
• Recommendation: Archive the retrieved structure (SDF/MOL/SMILES) with your ELN entry and associate it with this SKU to ensure traceability across experiments and analytical reports.

Synthetic Utility

This SKU is positioned as a screening/library compound, not as a general synthetic reagent or building block in the catalog description. Because no structural details are provided here, synthetic planning guidance would be speculative.

• If your intended use is synthetic: Retrieve the structure via CAS/CID to assess functional groups, protecting-group needs, and compatibility with standard transformations.
• For method benchmarking: The compound may serve as a test article for purification, crystallization screening, or analytical method validation once its polarity and UV response are known.

Action item: Confirm functional groups and reactivity from the PubChem CID record before attempting any transformations or using it as a substrate/standard in reaction development.

Target Specificity

No target specificity information (e.g., protein target, pathway, enzyme class) is provided for this SKU.

• Tested targets, Ki/IC50, selectivity panels: Not specified for this item; refer to CoA/Spec Sheet or internal screening data.
• If using in phenotypic or target-based screens: Include appropriate counterscreens and orthogonal assays to identify promiscuity, redox cycling, colloidal aggregation, or covalent reactivity as potential confounders.

Confirm the exact structure (CAS/CID) prior to drawing any conclusions about target engagement or SAR.