GPR120 modulator 2 - 10mM in DMSO , CAS No.1050506-87-0

CAS: 1050506-87-0 Cat. No.: G655972 Formule: C₂₀H₁₈ClNO₃S Poids moléculaire: 387.88 PubChem CID: 25017837

QUALITÉ & PURETÉ 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

GPR120 modulator 2 is a G protein coupled receptor 120 (GPR120) modulator extracted from patent US8394841B2, compound example F13. GPR120 modulator 2 can be used for the research of diseases associated with abnormal or deregulated GPR120, such as diabetes

IC50& Target:GPR120

Spécifications

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

GPR120 modulator 2 is a G protein coupled receptor 120 (GPR120) modulator extracted from patent US8394841B2, compound example F13. GPR120 modulator 2 can be used for the research of diseases associated with abnormal or deregulated GPR120, such as diabetes

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

MODULATOR

Noms et identifiants

Isomères SMILES

CC1=C(C=CC(=C1)OCC2=NC(=CS2)C3=CC=CC=C3Cl)CCC(=O)O

CAS alternatif

1050506-87-0

PubChem CID

25017837

Poids moléculaire

387.88

Application Protocols

No item-specific, validated application protocols are provided. The following general workflow outlines typical use of small-molecule GPCR modulators in cell-based pharmacology.

Example: β-arrestin recruitment assay (general guidance)

• Cell line: HEK293 or U2OS stably expressing human FFAR4 with a compatible β-arrestin assay system (e.g., enzyme fragment complementation or Tango/BRET biosensor).
• Plate: 96- or 384-well, tissue culture–treated; consider low-binding plastics to minimize adsorption.
• Preparation: thaw a −80°C aliquot of compound stock (DMSO, 10–50 mM); dilute to a 10-point half-log series in assay buffer with constant DMSO (≤0.1–0.5% v/v).
• Dosing: add to cells at 70–90% confluence; incubate per kit guidance (e.g., 30–90 min).
• Readout: measure luminescence/fluorescence per platform; normalize to vehicle and reference control.
• Data analysis: fit concentration–response (four-parameter logistic), report EC50/IC50 and Emax with 95% CI; include ≥3 biological replicates.

Controls and QC:

• Vehicle control (matched DMSO), positive control ligand (if available), and parental cell line control.
• Check compound stability/precipitation; confirm lack of cytotoxicity at top concentrations (e.g., resazurin or CellTiter assays).

Biological Roles

Context for GPR120 (FFAR4) biology (general literature background; not item-specific claims):

• Receptor identity: GPR120, also known as FFAR4, is a class A GPCR activated by long-chain fatty acids, including omega-3 species. It is expressed in intestinal enteroendocrine cells, adipocytes, macrophages, and other tissues.
• Signaling pathways: Activation can couple to Gq/11 leading to phospholipase C activation and intracellular Ca2+ mobilization in some systems, and prominently to β-arrestin–mediated signaling that modulates downstream effectors (e.g., ERK). Biased agonism has been described among ligands.
• Functional outcomes (preclinical biology): In cell models, GPR120 engagement has been linked to modulation of inflammatory signaling in macrophages, effects on incretin secretion in enteroendocrine cells, and regulation of adipocyte function. These roles are system- and ligand-dependent.
• Research applications: Small-molecule GPR120 modulators are used to probe receptor pharmacology, dissect signaling bias (G protein vs. β-arrestin), and investigate pathway cross-talk with other FFARs (e.g., FFAR1/GPR40) and metabolic sensors.
• Assay considerations: Endogenous fatty acids in serum-containing media may contribute background activity; serum-free or fatty acid–depleted conditions, or stringent vehicle controls, can sharpen pharmacological readouts.

This product is intended strictly for research use to interrogate GPR120-related biology; it is not for human or veterinary use.

Buffer Applications

This product is a small-molecule GPCR modulator and is not itself a buffering agent. Consequently, classical buffer system design (pKa selection, buffer capacity, ionic strength optimization) does not apply directly.

Practical notes for assay buffers (general guidance):

• Choose biologically relevant buffers (e.g., HBSS, HEPES-buffered saline, or CO2-equilibrated DMEM) that support the selected readout (Ca2+ flux, β-arrestin recruitment, ERK phosphorylation).
• Control solvent composition: keep DMSO ≤0.1–0.5% v/v where feasible; match vehicle in all control wells.
• If solubility is limiting, consider minimal non-ionic surfactant (e.g., 0.01–0.05% Pluronic F-68) or cyclodextrin carriers, validating that they do not perturb receptor signaling.

For buffer recipes and pH windows, refer to standard biochemistry resources; this product does not define a buffering system.

Green Alternatives

Because this product is a bioactive small molecule rather than a process solvent or reagent, “green alternatives” are chiefly relevant to its handling and formulation rather than substitution at the molecular level.

Greener handling strategies (general; not item-specific):

• Solvent minimization: prepare concentrated DMSO stocks (e.g., 10–50 mM) to reduce total DMSO volume added to assays (≤0.1–0.5% v/v final) while maintaining solubility.
• Alternative vehicles: consider aqueous solubilization aids to lower organic content when compatible with the biology.

Comparison of common vehicles (general):

• DMSO: high solubilizing power; widely accepted in screening; environmental/health considerations require controlled handling and waste management.
• Ethanol: renewable routes exist; higher volatility may increase emissions; often less effective for very hydrophobic ligands.
• PEG 400 or glycerol: bio-based options; higher viscosity and potential assay interference; disposal considerations apply.
• Cyclodextrin carriers (e.g., HP-β-CD): water-based delivery; may interact with membranes/proteins—run vehicle controls.

Operational improvements:

• Use microvolumetric dispensing (acoustic or pin-tools) to minimize solvent use.
• Opt for sealed microplates to limit VOC emissions.
• Consolidate waste streams and utilize solvent recycling programs where available.

Note: There is no direct “green substitute” for the active compound itself without impacting biological activity; optimization focuses on formulation and workflow.

Pharmaceutical Uses

No pharmacopeial status or excipient role is provided for this item. It is supplied strictly for research use.

Potential roles in pharmaceutical R&D workflows (general; not item-specific claims):

• Reference standard/control: a characterized GPR120 modulator can serve as a positive control in high-throughput screening (HTS), medium-throughput profiling, and secondary assays.
• Assay development: use during optimization of β-arrestin recruitment assays, calcium mobilization protocols (where applicable), and downstream signaling readouts to benchmark dynamic range and Z′-factor.
• Mechanistic pharmacology: enable studies on ligand bias, desensitization/internalization kinetics, and pathway selectivity relative to other FFARs.
• DMPK method development: may be used as a probe in microsomal stability, plasma protein binding, or permeability assays to establish assay performance (with proper authorization and safety review).

Regulatory note:

• This compound is not approved as a drug, API, or excipient, and carries no clinical indications. Any use is limited to laboratory research under appropriate institutional oversight.

Physical Properties

Item-specific physical data are not provided in the Product Data. Where values are required for experimental design, consult the CoA/Spec Sheet or measure empirically under your conditions.

Item-specific properties (specs):

• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: 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.
• Refractive index: Not applicable/unknown for solids; Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• logP/pKa: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice; not item-specific):

• Bioactive screening compounds are commonly reconstituted in anhydrous DMSO to make 10–50 mM stocks, then diluted into assay buffer to ≤0.1–0.5% DMSO final.
• If aqueous solubility is limited, co-solvent systems (DMSO→buffer), surfactant-containing buffers (e.g., 0.01–0.05% Pluronic F-68), or cyclodextrin carriers may help, with appropriate vehicle controls.
• Light/moisture sensitivity should be assessed experimentally; store under recommended conditions and minimize freeze–thaw cycles to preserve integrity.

Quality and Grades

Item-specific grade/purity is not provided in the Product Data.

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

How to interpret quality for screening compounds (general guidance; not item-specific):

• Identity confirmation: typically established by LC–MS and/or 1H NMR; InChI/SMILES on the CoA should match the intended structure and salt state.
• Purity conventions: HPLC or UPLC area% purity is commonly reported (e.g., ≥95%); residual solvents, water content (KF), and salt/stoichiometry may be listed.
• Counter-ions/solvates: clarify free base vs. salt (e.g., HCl, TFA) and presence of hydrates/solvates, as these affect assay molarity and dissolution.
• Low-UV absorbance/LC compatibility: if planning analytical QC, ensure the chosen mobile phase detects the chromophore; gradient methods with PDA and MS are typical.
• Trace impurities: for SAR and phenotypic assays, verify that activity tracks with lot-to-lot purity and identity to exclude PAINS or reactive contaminants.

Documentation provided on request:

• CoA/SDS and (where available) analytical traces (LC–MS chromatogram, NMR) can be used to validate suitability for your application.

Reaction and Applications

This product is supplied as a research tool compound annotated for modulation of GPR120 (FFAR4). It is not typically used as a synthetic reagent.

Research/application context (general; not item-specific claims):

• Target class: G protein–coupled receptor responsive to long-chain fatty acids; signaling can involve Gq/11-dependent calcium mobilization and prominent β-arrestin pathways.
• Use cases: chemical biology, receptor pharmacology, validation of GPR120-mediated signaling, target engagement studies, and positive/negative control in assay development.
• Assay modalities: β-arrestin recruitment (e.g., enzyme fragment complementation, Tango), label-free impedance, calcium flux (where applicable), and downstream pathway readouts (e.g., ERK phosphorylation).
• SAR workflows: deploy in parallel with close analogs to map on-target effects, build concentration–response curves (8–12 points), and benchmark against known FFAR4 ligands.

Practical tips:

• Prepare DMSO stocks at known molarity; verify concentration by UV or quantitative NMR when critical.
• Include vehicle controls and, when possible, counter-screens at related receptors (e.g., FFAR1/GPR40) to deconvolute specificity.
• Assess compound stability in assay media (e.g., 37°C, 2–24 h) and adsorption to plastics; low-binding plates and glass vials can mitigate loss.

For synthetic chemistry applications, consider alternative reagents; this item is primarily a bioactive screening molecule.

Reaction Conditions

Not typically applicable. This product is supplied as a GPR120 (FFAR4) modulator for biological assays rather than as a reagent for chemical transformations.

General experimental conditions for biological testing (not item-specific):

• Stock solutions: prepare at 10–50 mM in anhydrous DMSO; store aliquots at ≤−20°C to −80°C and avoid repeated freeze–thaw.
• Working concentrations: establish concentration–response curves spanning at least 8–12 points (e.g., 10-point half-log series) to determine potency metrics in your assay system.
• Assay temperatures: typical cell-based assays at 37°C, biochemical binding assays at room temperature or 25–30°C unless otherwise optimized.

For chemical reaction conditions (solvent, catalyst, temperature, time, yield), consult literature specific to the exact structure if you plan derivatization; no such data are provided for this item.

Safety and Handling

Safety information specific to this item is not included in the Product Data. Always consult the SDS for authoritative guidance before use.

Provided hazard fields (item-specific):

• Signal word: Not specified for this item; refer to SDS.
• H-statements: Not specified for this item; refer to SDS.
• GHS classification and pictograms: Not specified for this item; refer to SDS.

General laboratory safety (good practice; not item-specific):

• Engineering controls: handle in a chemical fume hood; avoid aerosol generation and dust.
• PPE: lab coat, safety glasses, and appropriate chemical-resistant gloves; consider double-gloving when handling DMSO solutions to limit dermal uptake of solutes.
• Incompatibilities: avoid strong oxidizers and strong acids/bases unless compatibility is verified for the specific structure; store away from oxidants and sources of ignition.
• First aid (overview): in case of contact, rinse skin/eyes with water for ≥15 min; if inhaled, move to fresh air; if ingested, seek medical attention. Provide SDS to responder.
• Spill/accidental release: absorb small liquid spills with inert material; for solids, avoid dusting, gently sweep or HEPA vacuum; dispose according to institutional and local regulations.
• Waste: treat as organic chemical waste; segregate halogenated vs. non-halogenated solvents if used for cleanup.

Note: This material is for research use only.

Solvent Selection

Item-specific solubility data are not provided. For small-molecule GPCR modulators, the following solvent strategy is commonly effective (general guidance):

• Primary stock solvent: anhydrous DMSO (typical stock 10–50 mM). Benefits: broad solubilizing power, assay compatibility at ≤0.5% v/v.
• Secondary solvents (if needed): DMF or NMP for initial dissolution, followed by dilution into buffer; ensure cytocompatibility and include vehicle controls.
• Aqueous vehicles: PBS, HBSS, or assay-specific buffers. If precipitation occurs upon dilution, add the DMSO portion slowly under vortex, pre-warm to 25–37°C, or include minimal surfactant (e.g., 0.01–0.05% Pluronic F-68) where compatible.
• Co-solubilization aids: 2-hydroxypropyl-β-cyclodextrin (HP-β-CD, 1–10% w/v) or serum proteins can enhance apparent solubility for hydrophobic ligands; verify no assay interference.

Comparison (general):

• DMSO: highest utility; potential to increase membrane permeability; requires careful control of final %.
• Ethanol: volatile and higher assay interference at similar %; limited solubilization for very hydrophobic compounds.
• PEG 400: strong solubilizer but viscous; may affect cellular assays and readouts.

Always verify clarity and stability over the assay window (e.g., 0–24 h) by visual inspection and, where critical, by UPLC to confirm no precipitation/degradation.

Storage and Reconstitution

Item-specific conditions provided:

• Storage: Store at −80°C.
• Shipping: Shipped on dry ice packs + cold packs.

Additional guidance (general best practices; not item-specific specifications):

• Long-term stability: maintain at −80°C in airtight, light-protective containers. If provided as dry solid/film, equilibrate to room temperature in a desiccator before opening to avoid moisture condensation.
• Aliquoting: upon first use, prepare single-use aliquots to minimize freeze–thaw; record preparation date and concentration on each vial.
• Reconstitution solvent: DMSO is commonly used to prepare 10–50 mM stocks for small-molecule screening. If alternative solvents are required, confirm solubility and assay compatibility.
• Post-reconstitution storage: store DMSO stocks at ≤−20°C to −80°C; avoid repeated freeze–thaw (use aliquots). Inspect for precipitation or discoloration prior to use.
• Working solutions: prepare fresh on the day of experiment; keep at 2–8°C or room temperature as appropriate for the assay duration. Discard if precipitation or turbidity forms.

Note: In the absence of item-specific stability/solubility data, users should verify integrity by LC–MS or UPLC where critical and refer to the CoA/Spec Sheet for any lot-specific recommendations.

Research use only.

Structure and Identity

A curated small-molecule tool compound annotated as a modulator of the GPCR GPR120 (FFAR4), provided for research and screening applications.

• SKU: G655972
• Product name: GPR120 modulator 2
• CAS: 1050506-87-0
• PubChem CID: 25017837
• Category: Small-molecule and compound library member (screening tool)

Item-specific identifiers (from Product Data):

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

Structural features (general context):

• Functional class: small-molecule GPCR modulator targeting FFAR4 (GPR120), a long-chain fatty acid receptor.
• Stereochemistry, heteroaromatic motifs, and substitution patterns: Not specified for this item; refer to CoA/Spec Sheet.

2D structure description (general):

• Without the disclosed SMILES/InChI, a definitive functional-group breakdown cannot be provided for this specific item. Consult the CoA/Spec Sheet or SDS for the exact structural representation and any salt/solvate information (e.g., free base vs. HCl salt).

Synthetic Utility

This product is a bioactive screening compound and is not typically employed as a reagent, catalyst, monomer, or building block in synthetic chemistry.

• Functional-group participation in standard organic reactions, polymerizations, or cross-couplings is not characterized here and should not be assumed.
• If derivatization or probe synthesis is desired (e.g., for biotinylation or fluorophore tagging), consult the CoA/Spec Sheet for structure, then design appropriate linkers to avoid disturbing pharmacophoric elements. SAR-informed minimal modifications (isosteres, para-linkers, or terminal handle installation) are common strategies.
• For tracer development (e.g., click handles, photoaffinity labels), ensure that modifications preserve GPR120 activity and selectivity; iterative testing is recommended.

If your intent is synthetic methodology development, alternative commodity reagents are likely more suitable than this specialized screening molecule.

Target Specificity

Item-specific potency, selectivity, and off-target profiles are not provided in the Product Data.

General guidance for GPR120 (FFAR4) modulators (literature/practice; not item-specific):

• Primary target: FFAR4 (GPR120). Assess activity in cells expressing human or rodent FFAR4, with matched parental controls to gauge background.
• Related receptors: profile against FFAR1 (GPR40), FFAR2 (GPR43), and FFAR3 (GPR41) to assess selectivity within the free-fatty-acid receptor family.
• Signaling bias: quantify both G protein (e.g., Ca2+ mobilization, IP1 accumulation) and β-arrestin recruitment to determine pathway preference.
• Orthogonal readouts: include ERK phosphorylation, label-free impedance, or BRET-based assays to corroborate findings and mitigate assay artifacts.

Please refer to the CoA/Spec Sheet and primary literature for any available quantitative metrics (EC50/IC50, Emax, Ki, kinetic parameters) specific to this catalog item.

Foire aux questions

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 1050506-87-0, the molecular formula is C20H18ClNO3S, and the molecular weight is 387.88 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.