Ingliforib (CP 368296) is a glycogen phosphorylase inhibitor, with IC 50 s of 52, 352 and 150 nM for liver, muscle and brain glycogen phosphorylase, and has cardioprotective activity.

Specifiche

Specifiche e purezza

Moligand™, 10 mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Grado

Moligand™

Tipo di azione

INHIBITOR

Nomi e identificatori

Isomeri SMILES

C1[C@H]([C@H](CN1C(=O)[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)O)O)O

PubChem CID

6451325

Peso molecolare

457.91

Dati avanzati

Certificati (CoA, COO, BSE/TSE e tabella di analisi)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Calcolatori di soluzioni

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Recensioni

Application Protocols

No vendor-tested protocols are provided for Ingliforib in the product data. The following are general, non-binding templates for deploying small-molecule ligands in research. Adapt to your assay and validate empirically.

Template: Preparing a DMSO stock

Warm the vial to room temperature in a desiccated environment. Spin down briefly to collect contents.
Add anhydrous DMSO to achieve the desired concentration (e.g., 10 mM, if soluble). Vortex and, if necessary, sonicate briefly. Protect from light if sensitivity is suspected.
Aliquot into low-bind tubes; store at -80 °C. Avoid repeated freeze–thaw cycles.

Template: Biochemical inhibition assay (endpoint readout)

Prepare serial dilutions (e.g., 10-point, 3-fold) in assay buffer maintaining constant DMSO across wells.
Preincubate compound with target protein if time-dependent effects are expected; initiate reaction with substrate.
Read signal within the linear range. Fit concentration–response curves with appropriate models and report confidence intervals.

Template: SPR binding analysis

Immobilize target on a sensor chip. Inject Ingliforib at multiple concentrations with matched DMSO.
Use reference subtraction and DMSO calibration. Fit to a 1:1 or heterogeneous model as justified by residuals.

Note: These are general-purpose protocols. For Ingliforib, confirm solubility, stability, and any special conditions from the CoA prior to execution.

Biological Roles

Target specificity and biological mechanism for Ingliforib are not provided in the product data. The following guidance addresses typical roles and evaluation strategies for small-molecule ligands in research.

Putative role: As a Moligand™ library member, Ingliforib is intended for investigating molecular recognition—probing binding to enzymes, receptors, transporters, or protein–protein interfaces.
Evaluation roadmap:
- In vitro biochemical assays to establish potency (IC50/Ki) and mechanism (competitive, noncompetitive, covalent vs reversible), if applicable to your target.
- Biophysical confirmation (SPR/ITC/NMR/MST) to validate direct binding and derive kinetic/thermodynamic parameters.
- Cellular target engagement (e.g., CETSA, NanoBRET) to verify activity in a physiological context.
ADME profiling (general): Early assessment of metabolic stability, permeability (PAMPA/MDCK), and plasma protein binding helps contextualize potency vs exposure in cell-based assays.
Off-target assessment: Screen against common anti-targets or panels relevant to your biology to identify promiscuity or liabilities (e.g., HERG binding, redox cycling, PAINS-like behaviors). Ensure any such analyses are interpreted cautiously and validated orthogonally.

Important: No medical or therapeutic claims are made. All uses are for research purposes only, and any biological conclusions should be supported by data generated with this specific lot of Ingliforib.

Buffer Applications

This product is not a buffering agent. Item-specific pKa and aqueous solubility are not provided, so no defined buffering system is recommended.

Practical guidance for using small-molecule ligands in buffered assays:

Prepare concentrated DMSO stocks (as solubility allows) and dilute into assay buffers freshly to minimize precipitation. Keep final DMSO low (≤0.1–1% v/v) unless your assay supports more.
Buffer selection should be driven by the biological target (e.g., HEPES, Tris, phosphate) and analytical detection method. Validate that the buffer does not interact with the compound (e.g., metal chelation, nucleophilic reactions, or micelle formation).
pH optimization: If the compound has ionizable groups (unknown for this item), adjust pH to maintain the desired protonation state and maximize solubility without compromising target activity.
Additives: If necessary, consider low levels of nonionic surfactants to reduce aggregation artifacts. Verify that additives do not interfere with readouts.

For precise conditions, consult the CoA for any solubility notes and perform a small-scale titration to confirm clarity and stability at your chosen buffer composition and pH.

Green Alternatives

Because Ingliforib is a discrete small-molecule ligand rather than a commodity solvent or reagent, the concept of greener substitutes focuses on handling and solvent choices, not replacement of the compound itself.

Greener handling strategies (general):

Solvent minimization: Use high-concentration DMSO stocks (as solubility allows) and dispense microliter quantities to reduce solvent waste.
Miniaturization: Employ microscale or high-throughput formats to reduce compound consumption and plastic waste.
Solvent selection: Favor DMSO–buffer systems over chlorinated solvents for assay work. For sample prep, replace acetonitrile with ethanol or isopropanol where analytically acceptable.
Energy efficiency: Store at the recommended ultra-low temperature (-80 °C) but consolidate shipments and minimize freeze–thaw events to reduce cold-chain load.

Comparison of common assay co-solvents (general):

DMSO: High solvency, widely compatible; not volatile; downstream environmental impact relatively low in small volumes.
Ethanol/IPA: Renewable feedstocks possible; higher volatility; lower solvency for many drug-like molecules.
DMF/Acetonitrile: Effective but higher environmental/health concerns; restrict to analytical necessities.

Note: No greener “alternative compound” is appropriate unless your biology allows swapping to a different chemical probe. If substitution is contemplated, validate target engagement and off-target profile anew.

Pharmaceutical Uses

No pharmacopeial status or excipient role is provided for Ingliforib. This product is supplied strictly for research use as a small-molecule ligand.

Context for research workflows (non-clinical):

Reference standard: May be used to develop or validate analytical methods (e.g., LC–MS/MS) for research samples.
Discovery research: Tool compound or screening hit candidate in medicinal chemistry programs, subject to further characterization.
Formulation screening (in vitro only): Preliminary solubility/stability exploration in simple vehicles to support in vitro experiments.

Non-applicable or out of scope:

No claims are made regarding therapeutic indications, clinical efficacy, safety in humans, or GMP manufacturing use.
No listing in compendial monographs is provided in the product data.

If translation to regulated contexts is contemplated, independent qualification and regulatory assessment are required. For this catalog item, use is limited to laboratory research per the Research Use Only note.

Physical Properties

Item-specific physicochemical data are not provided in the product data and must be taken from the CoA/SDS for this lot.

Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
Boiling point (BP): 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/logD, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

General (literature/practice) guidance for drug-like small molecules:

Stock solutions are commonly prepared at 10–50 mM in anhydrous DMSO for biochemical screening; dilute into assay buffer immediately before use to minimize precipitation. This is general guidance; confirm actual solubility for Ingliforib from the CoA.
For aqueous work, small-molecule solubility can often be improved by co-solvent (e.g., ≤1–2% DMSO in buffer), pH adjustment relative to the compound’s pKa, or cyclodextrin complexation—use only if compatible with your assay.
If hygroscopic or light-sensitive (unknown for this item), minimize atmospheric exposure and protect from light during handling. Validate stability in your intended matrix (time course at room temperature and at 4 °C).

Quality and Grades

Grade/Purity: Moligand™ (product data)

What Moligand™ typically signifies (general description):

Intended use: Small-molecule ligand suitable for screening, target-validation, and SAR exploration in research settings.
Identity and quality: For library-grade ligands, suppliers commonly verify identity by techniques such as LC–MS and/or 1H NMR and report purity by HPLC/UPLC. The exact tests and acceptance criteria for this specific item are not provided here.

Item-specific disclosures:

Purity specifications, residual solvent limits, water content, inorganic impurities, and stabilizers: Not specified for this item; refer to CoA/Spec Sheet.
UV cutoff and chromatographic background: Not specified for this item; refer to CoA/Spec Sheet if planning analytical detection.

Practical guidance:

If using as a screening hit or reference standard, request/retain the CoA to document identity, purity method, and lot traceability.
For bioassays, pre-screen for assay interference (fluorescence/absorbance overlap, redox activity, aggregation) and include orthogonal detection where possible.
If the compound is used in medicinal chemistry follow-up, consider re-purification or independent QC as appropriate for your workflow.

Regulatory/usage note:

Research use only; not intended for diagnostic, therapeutic, or GMP manufacturing applications.

Reaction and Applications

This product is supplied as a Moligand™ small-molecule ligand primarily for screening and target-binding studies rather than as a synthetic reagent. Specific reactivity data or use in named organic reactions for Ingliforib are not provided.

Applicable research applications (general for screening ligands):

Biochemical screening: Use in enzyme inhibition or receptor-binding assays to assess potency and mechanism. Include appropriate controls to detect assay interference.
Biophysical characterization: Evaluate binding by DSF/thermal shift, SPR, ITC, NMR, or MST to obtain KD and thermodynamic/kinetic parameters.
Cellular assays: Determine cellular target engagement (e.g., CETSA) and functional readouts where appropriate. Optimize solvent tolerance and time-dependent stability.
Analytical reference: Use as a reference standard in method development (LC–MS quantitation), pending availability of purity and response factor information in the CoA.

Not typically applicable:

As a coupling reagent, catalyst, or stoichiometric building block in synthesis—no item-specific guidance is provided.

Practical tips:

Confirm identity and purity of the working solution by LC–MS before critical experiments.
Conduct concentration-response studies with replicate curves and include orthogonal assay formats to rule out artifacts.
Evaluate stability across freeze–thaw cycles and at bench-top exposure times to ensure reproducible activity.

Reaction Conditions

No item-specific reaction conditions are provided, and Ingliforib is not supplied as a reagent for routine synthetic transformations. The following notes relate to handling conditions for solution preparation and assay use, not chemical reactions.

General conditions for solution preparation and assay deployment:

Solvent: Use anhydrous DMSO for initial stock preparation unless CoA indicates otherwise. Filter (0.22 μm PTFE) if particles are observed and the compound is stable to filtration.
Temperature: Dissolve at room temperature; gentle warming (≤37 °C) or brief sonication can aid dissolution. Avoid prolonged heating.
Light/oxygen: If the compound is light- or air-sensitive (unknown for this item), protect from light and prepare under inert gas. Validate by stability-indicating LC–MS.
Stability checks: Monitor freshly prepared solutions by LC–MS over typical assay timelines (0, 2, 6, 24 h at room temperature and 4 °C) to detect degradation or adsorption losses.

If employing chemical reactions with Ingliforib (non-standard use):

Establish functional-group compatibility and choose conditions based on confirmed structure and known reactivity from literature—no generalized conditions are recommended without structure.

Always consult the CoA/SDS for any special handling instructions or known incompatibilities specific to Ingliforib.

Safety and Handling

No GHS classification details are provided in the product data for this item. Always consult the SDS for authoritative hazard and first-aid information.

Signal word: Not specified for this item; refer to SDS.
H-statements: Not specified for this item; refer to SDS.
Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions for small-molecule screening compounds:

PPE: Use lab coat, safety glasses, and suitable chemical-resistant gloves (e.g., nitrile). Avoid inhalation of dust/aerosols and skin contact.
Engineering controls: Handle powders and solution make-up in a fume hood or ventilated enclosure. Use secondary containment for transport between cold storage and the bench.
Incompatibilities: Unknown for this item; in general, avoid strong oxidizers and strong acids/bases unless compatibility is verified. Do not mix with incompatible solvents or reducing/oxidizing agents before consulting the SDS.
First aid (general): In case of skin/eye contact, rinse with water for at least 15 minutes and seek medical attention. If inhaled, move to fresh air. If ingested, rinse mouth and seek medical attention—do not induce vomiting unless directed by medical personnel.
Spill response: Avoid dust formation. Absorb small liquid spills with inert material; collect solids carefully to minimize airborne particles. Dispose of waste according to institutional and local regulations.
Research use only: Not for human or veterinary use.

Solvent Selection

Item-specific solubility is not provided. The guidance below reflects common practice for small-molecule ligands and should be validated experimentally for Ingliforib.

Primary stock solvent (general practice): Anhydrous DMSO is commonly used for 10–50 mM stocks due to broad solubilizing power and compatibility with many biochemical assays.
Aqueous assay buffers: After preparing a DMSO stock, dilute into buffer immediately before use. Maintain final DMSO at ≤0.1–1% v/v unless your assay supports higher levels.
Alternative co-solvents: Ethanol or DMF can be used if DMSO is incompatible with the assay, but verify background signals and toxicity to biological systems.
Surfactant-assisted dissolution: For hydrophobic compounds, small amounts of nonionic surfactant (e.g., 0.01–0.05% Tween-20) can reduce aggregation in biochemical assays—confirm that surfactants do not perturb the target.

Comparison (general):

DMSO vs ethanol: DMSO typically affords higher solubility and better chemical stability; ethanol can be preferable for cell-based assays sensitive to DMSO but often has lower solubilizing capacity.
DMSO vs DMF: DMF is less commonly used in biological assays due to cytotoxicity and volatility but can aid in analytical sample prep.

Note: Verify actual solvent compatibility and solubility for Ingliforib from the CoA and through small-scale tests (visual clarity, LC–MS check for degradation).

Storage and Reconstitution

Storage and shipping (product data):

Storage conditions: Store at -80 °C.
Shipped in: Dry ice packs + cold packs.

General handling and reconstitution guidance for small-molecule ligands:

Upon receipt: Keep the container sealed and cold. Allow the shipment to equilibrate to -80 °C before unpacking to prevent condensation.
Thawing: Equilibrate the closed vial to room temperature in a desiccator before opening to minimize moisture uptake.
Reconstitution solvent: Select based on CoA solubility notes; anhydrous DMSO is commonly used for initial stocks. If aqueous use is required, dilute the DMSO stock into buffer immediately before use.
Aliquoting: Prepare single-use or limited-use aliquots (e.g., 10–50 μL) in low-bind tubes to avoid multiple freeze–thaw cycles.
Freeze–thaw: Minimize cycles; repeated thawing can accelerate degradation or adsorption losses. Record aliquot usage.
Light and atmosphere: If the compound is light- or air-sensitive (unknown for this item), protect from light and consider inert-gas backfilling.
Stability: Item-specific stability, hydrates/solvates, and degradation pathways are not specified; verify by stability-indicating LC–MS or HPLC.

Disposal: Dispose of unused solutions and materials in accordance with institutional policies and local regulations.

Note: For any item-specific instructions (e.g., maximum concentration, special stabilizers), consult the CoA/Spec Sheet for this lot of Ingliforib.

Structure and Identity

Overview for Ingliforib (SKU I1498863) as a small-molecule screening ligand (Moligand grade). Item-specific identifiers are limited in the provided data; consult the CoA/SDS for definitive structural information.

Product name: Ingliforib
CAS: 186392-65-4 (product data)
PubChem CID: 6451325 (product data)
InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
SMILES: 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):

Functional-group and ring-system details are not provided for this listing. Ingliforib is supplied as part of a small-molecule/ligand library (Moligand™), typically intended for target binding and screening assays rather than bulk synthetic use.
2D/3D structure: Not specified in the product data. For cheminformatics workflows, retrieve structure via the CAS or CID in trusted databases and verify against the CoA.

Best practices:

Always verify structural identifiers (SMILES/InChI) from the certificate of analysis before registration in ELNs or screening databases.
If building QSAR/virtual screens, standardize stereochemistry and protonation state using the authoritative structure from the CoA/SDS.

Synthetic Utility

Ingliforib is offered as a finished small-molecule ligand for screening and is not positioned as a synthetic building block. Functional-group reactivity and named-reaction participation are not provided in the product data.

Potential uses in synthesis (general, if repurposed with caution):

Reference material for developing or validating synthetic routes to analogs or metabolites—e.g., using the authentic compound to benchmark analytical purity and retention times.
Structural inspiration for scaffold hopping and SAR exploration, once the structure is confirmed from CoA and literature sources.

Not typically applicable:

Routine use as a coupling partner, catalyst, or stoichiometric reagent. Without known functional handles, prescriptive reaction conditions cannot be recommended.

Best practices:

If chemical modification is intended, obtain definitive structural information (SMILES/InChI, stereochemistry) and assess available functional groups for chemoselective transformations.
Perform small-scale stability studies to identify sensitive motifs (e.g., hydrolysis, oxidation) before planning derivatizations.

Conclusion: Treat Ingliforib primarily as a research ligand; any synthetic manipulation should be preceded by structure confirmation and compatibility screening.

Target Specificity

Target, epitope, or selectivity data for Ingliforib are not provided in the product data.

What to report and verify in your lab (general guidance for small-molecule ligands):

Primary target: Enzyme/receptor name, species, isoform, and domain context.
Potency metrics: IC50, Ki, KD, or EC50 with assay conditions (substrate/cofactor levels, temperature, pH) to ensure comparability.
Selectivity panel: Activity across close homologs and key off-targets to define specificity. Present fold-selectivity and assay windows.
Mechanism: Competitive vs noncompetitive, reversible vs covalent, and any time dependence in inhibition.
Cellular target engagement: Methods such as CETSA, NanoBRET, FRET biosensors, or occupancy measurements.

Item-specific note:

No target specificity claims are made here. Any conclusions about Ingliforib’s selectivity must be generated experimentally with this lot and documented in your reports. Always include orthogonal assays to rule out artifacts (e.g., aggregation, redox cycling, fluorescence interference).

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 186392-65-4, the molecular formula is C23H24ClN3O5, and the molecular weight is 457.91 g/mol.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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