Enpp-1-IN-14 - 10mM in DMSO , CAS No.2687222-59-7

CAS: 2687222-59-7 Cat. No.: E655784 Summenformel: C₁₅H₂₂ClN₅O₄S Molekulargewicht: 403.88

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Enpp-1-IN-14 (Compound 015) is a potent Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) inhibitor with an IC 50 value of 32.38 nM for recombinant human ENPP-1 . Enpp-1-IN-14 has anti-tumor activity

In Vivo

Enpp-1-IN-14 (compound 015) (50 mg/kg; IP; BID, for 31 days) significantly inhibits tumor growth . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Female C57BL/6 mice (4-6 weeks; implanted subcutaneously with 2×10 5 MC38 cells) Dosage: 50 mg/kg Administration: IP; BID, for 31 days (given a single 10 Gy exposure of focal radiation to the tumor site) Result: Significantly inhibited tumor growth.

IC50& Target:IC 50 : 32.38 nM (recombinant human ENPP-1)

Specifications

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Enpp-1-IN-14 (Compound 015) is a potent Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) inhibitor with an IC 50 value of 32.38 nM for recombinant human ENPP-1 . Enpp-1-IN-14 has anti-tumor activity.

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

• Molekulargewicht: 403.88

Application Protocols

No tested applications or protocols are provided in the Product Data for this item. The following is general guidance for handling small-molecule screening compounds; validate and optimize for your system.

General small-molecule handling protocol (practice)

• Upon receipt, verify integrity (no vial breach/condensation) and store immediately at the specified temperature.
• In a dry environment, allow vial to equilibrate to room temperature before opening to avoid moisture condensation.
• Prepare a concentrated DMSO stock (e.g., 10–50 mM if soluble). Vortex/sonicate briefly to aid dissolution. Record exact concentration.
• Aliquot into low-bind tubes (single-use aliquots) to minimize freeze–thaw cycles and adsorption.
• For assays, dilute stock into buffer to the target concentration, keeping final DMSO ≤0.5–1% unless otherwise validated.
• Include vehicle controls and, where relevant, detergent controls to monitor aggregation or nonspecific effects.

Documentation

• Record batch/lot, stock concentration, solvent, preparation date, and storage conditions in your ELN. Attach CoA and any in-house QC (HPLC/MS/NMR) for traceability.

Biological Roles

Item-specific biological data are not provided. The following context is general literature background and should not be construed as a property of this specific product lot.

• Ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) is a cell-surface/metalloenzyme involved in the hydrolysis of extracellular nucleotides and cyclic dinucleotides (e.g., cGAMP) in various biological settings (literature, not item-specific).
• Small-molecule ENPP1 modulators are used as research tools to probe nucleotide signaling, extracellular pyrophosphate/phosphate balance, and pathway crosstalk. Specific potency, selectivity, and permeability for this item are not supplied here.
• When investigating biological roles with any small-molecule tool, implement:
  • Concentration-response curves across multiple time points to track on-target vs. adaptive effects.
  • Orthogonal target-engagement assays (e.g., thermal shift, CETSA, nanoBRET) to confirm mechanism.
  • Genetic controls (knockdown/knockout or overexpression) to validate target dependence.

Important: No molecular formula, molecular weight, structure, or bioactivity metrics are provided in the Product Data for this item. Consult the CoA and primary literature for any structure–activity relationships relevant to your work.

Buffer Applications

This item is a small-molecule screening compound and is not itself a buffering agent. Therefore, classic buffer system recipes (e.g., phosphate, Tris, HEPES) do not apply directly.

Practical notes for assay buffers (general guidance)

• Prepare concentrated DMSO stocks of the compound, then dilute into your assay buffer to a final DMSO content typically ≤0.5–1% v/v (verify tolerance for your target and readout).
• Common biochemical buffers for nucleotide-processing enzymes include Tris or HEPES (pH ~7.4–8.5), with cofactors such as Mg2+ or Zn2+ when required by the enzyme (literature-level, not item-specific).
• Include BSA (0.01–0.1%) and/or a nonionic surfactant to minimize nonspecific adsorption and aggregation, provided they do not interfere with the assay.
• Filter buffers (0.22 µm) and equilibrate to assay temperature to ensure consistent kinetic measurements.

Item-specific pKa/solubility vs. pH data are not available. Empirically check for precipitation upon dilution into buffer and adjust cosolvent or surfactant accordingly.

Green Alternatives

This product is a small-molecule screening compound, not a process solvent or reagent present in large volumes. “Green alternatives” are therefore not typically applicable to the compound itself.

General sustainability considerations

• Minimize DMSO and DMF consumption; prepare high-concentration stocks and aliquot to reduce waste.
• Prefer aqueous assay buffers and lower organic content when compatible with solubility and target stability.
• Implement microscale assays (384/1536-well formats) to reduce material and solvent usage.
• Follow institutional procedures for hazardous waste segregation; many organic solvents and bioassay wastes require specific disposal streams.

If your workflow involves synthetic modification of this scaffold (SAR programs), consider greener choices for steps unrelated to the core compound:

• Replace dipolar aprotic solvents with Cyrene, GBL, or 2-MeTHF where feasible (literature guidance; evaluate case-by-case).
• Use flow chemistry or biocatalysis to decrease solvent and reagent footprints when derivatizing related chemotypes.

Pharmaceutical Uses

No pharmaceutical excipient status, compendial monographs, or formulation roles are provided for this item. This product is supplied strictly for research use only.

General context (not item-specific)

• Small-molecule tool compounds are occasionally used in preclinical research to probe target biology and exposure–response relationships. They are not intended for human or veterinary use, diagnostic purposes, or as active pharmaceutical ingredients.
• If you plan to explore formulation-like studies (e.g., for in vivo research in model systems), develop appropriate vehicle systems (e.g., aqueous buffer with tolerated cosolvent/surfactant) and perform full stability and compatibility testing. None of these parameters are specified for this product.

Compliance reminder

• Do not use in humans. Observe all institutional approvals and regulatory requirements for nonclinical research.

Physical Properties

Item-specific physicochemical properties are not provided in the Product Data.

• 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.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP / cLogP: Not specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable (typically for liquids); not specified for this item.

General considerations (literature/practice)

• Many small-molecule inhibitors are prepared as DMSO stock solutions (e.g., 10–50 mM) for screening; however, actual solubility for this specific item is unknown here and must be verified experimentally.
• If material is a solid, assess solubility in a panel (DMSO, DMF, ethanol, methanol, PBS with cosolvent) and confirm by UV–Vis or HPLC.
• For aqueous use, employ cosolvent + surfactant strategies (e.g., ≤1–2% DMSO plus 0.01–0.05% nonionic surfactant), validating that vehicle does not perturb assay readouts.
• Determine stability vs. light, heat, and pH empirically; protect from moisture and oxygen until specifications are confirmed from the CoA/SDS.

Quality and Grades

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

Interpreting typical grades (general guidance)

• For screening compounds, suppliers commonly provide ≥95% HPLC purity with supporting LC–MS/HRMS identity data. If grade is unspecified, request the current CoA to verify purity, principal impurities, and residual solvents.
• If intended for biochemical assays, low levels of UV-active impurities and residual metal catalysts are desirable; ask for UV trace and metals screening data if your assay is sensitive.
• For cellular work, endotoxin and bioburden are typically not specified for small molecules, but ensure solutions are prepared using sterile filtration when needed.

Stabilizers and formulation

• No stabilizer information provided for this item. If a stabilizer (e.g., antioxidant) is present in other products, it can affect assay readouts and UV spectra; verify on the CoA before use.

Lot qualification recommendations

• Confirm HPLC purity, MS, and, when possible, 1H NMR on receipt for critical studies.
• Establish an internal reference chromatogram and potency benchmark to monitor lot-to-lot consistency over long projects.

Reaction and Applications

This product is positioned (by name) as a small-molecule tool for enzyme studies; no item-specific application data are provided. The guidance below is general and should be validated experimentally.

Potential research applications (general)

• Biochemical assays: Evaluate effects on ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) activity using fluorogenic or HPLC-based substrates. Confirm potency using multiple substrate concentrations to assess potential competitive vs. noncompetitive behavior (literature-level concept; not item-specific).
• Cell-based assays: If cell-permeable, test modulation of ENPP1-dependent pathways (e.g., extracellular nucleotide metabolism) with careful control of DMSO levels and compound uptake.
• Mechanistic profiling: Use thermal shift assays (DSF), SPR, or nanoBRET target engagement to characterize binding (general techniques).

Assay design notes (general)

• Establish counterscreens for assay interference (e.g., fluorescence quenching, redox activity, aggregation). Include detergent controls to detect colloidal aggregation.
• Validate on-target effects with orthogonal readouts (biochemistry vs. cell biology) and, when possible, chemotype-matched negatives.
• For kinetic analyses, collect initial rates at multiple inhibitor concentrations and fit to appropriate models (e.g., Morrison tight-binding, Michaelis–Menten with inhibition term), as applicable.

Important: No potency, selectivity, or mode-of-action data are provided for this item. Refer to the CoA/Spec Sheet and primary literature for details relevant to your study.

Reaction Conditions

No chemical reaction conditions are specified for this item. As a small-molecule research tool, it is more commonly used in biochemical assays than in synthetic transformations.

General assay conditions for ENPP1 biochemical studies (literature-level; not item-specific)

• Buffer: Tris or HEPES, pH 7.4–9.0, with required divalent cations (e.g., Mg2+, Zn2+) depending on enzyme preparation.
• Substrates: Nucleotide phosphodiesters or cyclic dinucleotides; monitor hydrolysis by fluorescence, HPLC, or LC–MS.
• Temperature: Typically 25–37 °C.
• Vehicle: DMSO usually ≤0.5–1% v/v in final assay.
• Controls: Include no-enzyme, no-compound, and vehicle controls; apply detergent controls to detect aggregation artifacts.

If using the compound in chemical reactions (e.g., derivatization for SAR), choose conditions only after structure is known and functional groups are identified; avoid strong acids/bases, oxidants, or high temperatures until stability is established.

Safety and Handling

Safety information supplied in Product Data is incomplete; consult the SDS for authoritative guidance.

• Signal word (GHS): Not specified for this item; refer to SDS.
• Hazard statements (H-codes): Not specified for this item; refer to SDS.
• GHS classification & pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (good practice)

• Handle in a chemical fume hood; avoid inhalation of dust/aerosols and contact with skin/eyes.
• Wear appropriate PPE: lab coat, nitrile gloves (change regularly), safety glasses or goggles.
• Avoid exposure to light and heat until stability is known; many bioactives are light/moisture sensitive.
• Prevent cross-contamination by using dedicated tools for weighing and solution prep; cap vials promptly to minimize atmospheric moisture ingress.

Incompatibilities and special risks (general)

• Unknown for this specific item. As a precaution, keep away from strong oxidizers/reductants, strong acids/bases, and reactive metals until compatibility is established.
• Do not autoclave or heat above ambient without data; some small molecules decompose upon heating.

First aid (overview – defer to SDS)

• Skin/eye contact: Rinse with water for ≥15 min; remove contaminated clothing. Seek medical attention if irritation persists.
• Inhalation: Move to fresh air; seek medical advice if symptoms occur.
• Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Solvent Selection

Item-specific solubility data are not provided. The following guidance reflects general practice for small-molecule screening compounds.

• Preferred stock solvent: DMSO due to broad solubilizing power and assay compatibility at low v/v%.
• Alternative solvents: DMF, NMP, ethanol, or methanol (check assay tolerance and compound stability).
• Aqueous use: Prepare concentrated DMSO stock (e.g., 10–50 mM, if soluble), then dilute into buffer to ≤0.5–1% DMSO final. Add small amounts of nonionic surfactant (e.g., 0.01–0.05% polysorbate) only if needed and assay-compatible.
• For poorly soluble solids, use a cosolvent ladder (DMSO → DMF → NMP) and evaluate solubility by visual inspection + HPLC area.

Quick comparison (general)

• DMSO: highest solvating power, wide assay compatibility; potential to affect membrane integrity at >1–2% v/v.
• Ethanol/methanol: volatile, easier removal; lower solubilizing power; may affect enzyme activity.
• Aqueous buffers: minimal background, but rely on prior dissolution in a water-miscible organic solvent.

Practical tips

• Warm gently (≤37 °C) and vortex/sonicate briefly to aid dissolution; avoid prolonged heating/light exposure.
• Filter solutions (0.22 µm PTFE) when particulate persists, confirming no adsorption or degradation.
• Document the vehicle composition alongside biological data for reproducibility.

Storage and Reconstitution

Item-specific storage guidance is provided; reconstitution details are not.

• Storage conditions (from Product Data): Store at -80 °C.
• Shipping (from Product Data): Dry ice packs + cold packs.

Additional good practices (general)

• Keep material desiccated and protected from light until use. If supplied as a solid, consider storing under inert gas (argon) in a sealed vial within a desiccator or dry box.
• Before opening, allow the vial to warm to room temperature in a desiccator to prevent condensation.
• After initial opening, promptly prepare single-use aliquots of stock solution to avoid repeated freeze–thaw.
• For frozen solutions, store at -80 °C; avoid frost-free freezers. Typical small-molecule DMSO stocks remain stable for months when protected from moisture and light; confirm stability for this item via periodic HPLC/LC–MS (general guidance; not item-specific).

Reconstitution (not specified for this item)

• Solvent choice and target stock concentration are not specified; DMSO is commonly used for small-molecule bioactives. Verify solubility and stability experimentally.

Labeling reminder

• Mark vials with compound ID, concentration, solvent, date, and preparer. Retain CoA/Spec Sheet with storage log for auditability.

Structure and Identity

Brief overview: ENPP-1-IN-14 is cataloged as a small-molecule screening compound; item-specific structure data are not provided in the Product Data.

• SKU: E655784
• Product name: Enpp-1-IN-14
• CAS: 2687222-59-7
• Category: Small molecules and compound libraries (research 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.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

Structural description

• Item-specific functional groups, ring systems, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

Notes on identity verification (general guidance)

• For small-molecule bioactives, identity is commonly confirmed by a combination of 1H/13C NMR, HRMS/LC–MS, and HPLC purity. Where available, match retention time and exact mass against the CoA.
• If using in SAR or target-validation studies, consider obtaining an independent analytical reference (orthogonal MS/NMR) to confirm lot-to-lot consistency.

Synthetic Utility

This product is positioned as a bioactive screening compound rather than a synthetic reagent or building block. No functional group information is provided in the Product Data, so specific transformations cannot be recommended.

General notes (when considering derivatization; literature-level)

• If structure becomes available, assess handles for late-stage diversification (e.g., aryl halides for cross-coupling, amines/acids for amide coupling, phenols for etherification).
• For SAR, plan routes that preserve potential pharmacophores while enabling solubility and permeability optimization; consider Boc/CBz/N-Boc protections or ester prodrugs only if consistent with your research goals.
• Ensure any synthetic modification is clearly documented and that new entities are tracked with unique identifiers and fresh analytical characterization (NMR, HRMS, HPLC) distinct from the parent item.

Given the absence of structural data here, treat this product as a finished research material rather than a starting reagent for synthesis unless you have additional documentation (CoA/Spec Sheet) confirming suitable reactive handles.

Target Specificity

Item-specific target data are not provided in the Product Data.

• Target name, selectivity profile, Ki/IC50, and off-target panel: Not specified for this item; refer to CoA/Spec Sheet.

General note (context only)

• By its catalog name, this compound may be positioned for research on ENPP1 biology; however, no specificity or mechanism information is supplied here. Users should obtain primary data (e.g., from supplier CoA or independent testing) before drawing conclusions about selectivity or potency.