RO-28-1675 - 10mM in DMSO , CAS No.300353-13-3

CAS: 300353-13-3 Cat. No.: R656490 Formule: C₁₈H₂₂N₂O₃S₂ Poids moléculaire: 378.51

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

RO-28-1675 is a potent allosteric glucokinase (GK) activator with an EC 50 of 54 nM. RO-28-1675 can be used for the research of type 2 diabetes

In Vitro

RO-28-1675 can reverse the inhibitory action of the human glucokinase regulatory protein (GKRP). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

RO-28-1675 (50 mg/kg; p.o.) reduces blood glucose levels in wild-type C57BL/6J mice. RO-28-1675 exhibits high oral bioavailability (mice 92.8%) and C max (1140 μg/mL) following oral administration (10 mg/kg) . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: 10 weeks old male C57BL/6J miceDosage: 50 mg/kg Administration: Oral administration Result: Reduced blood glucose levels. Animal Model: C57BL/6J mice Dosage: 10 mg/kg (Pharmacokinetic Analysis Administration: Oral administration Result: Oral bioavailability (92.8%), C max (1140 μg/mL), T max (3.3 h).

IC50& Target:EC50: 54 nM (glucokinase)

Specifications

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

RO-28-1675 is a potent allosteric glucokinase (GK) activator with an EC 50 of 54 nM. RO-28-1675 can be used for the research of type 2 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.

Noms et identifiants

Poids moléculaire

378.51

Application Protocols

No manufacturer-validated application protocols are provided for this item. The following general protocol outlines good practices for small-molecule testing in plate-based assays (for research use only):

General compound handling and assay setup:

• Stock preparation: Dissolve RO-28-1675 in anhydrous DMSO to 10–50 mM. Vortex and, if needed, sonicate briefly. Verify concentration by UV or qNMR when possible.
• Storage of stocks: Aliquot into amber vials or plates, inert headspace if sensitive, and freeze at −80 °C. Avoid repeated freeze–thaw; use single-use aliquots.
• Serial dilution: Prepare a 10-point 3-fold series in DMSO, then transfer to assay buffer to achieve final DMSO ≤0.5–1% v/v.
• Controls: Include vehicle controls and, if available, positive/negative control compounds appropriate to the assay.
• Readout integrity: Check for optical interference (auto-fluorescence/absorbance) by running no-enzyme/no-cell wells with compound only where method allows.
• Data quality: Run technical replicates (n≥3), include inter-plate standards, and inspect Hill slopes and fit residuals; repeat if precipitation or non-specific aggregation is suspected.

Adjust specifics (cell density, enzyme concentration, incubation times) to your assay requirements.

Biological Roles

• Specific biological targets, pathways, or roles for RO-28-1675 are not provided in the product data. No claims of mechanism or selectivity are made here. Consult the primary literature and the CoA/Spec Sheet if structure and known annotations become available.

General guidance for using unannotated small molecules in biology:

• Treat as a chemical probe candidate of unknown selectivity. Implement orthogonal assays and broad counterscreens (e.g., cytotoxicity baseline, redox and aggregation controls) to identify non-specific effects.
• If the structure becomes available, compute physicochemical properties (cLogP, TPSA, pKa) to anticipate permeability, efflux liability, and potential off-target interactions.
• For cellular work, establish compound stability in culture media (protein binding, adsorption to plastics, light sensitivity) and confirm free concentration where possible (e.g., by equilibrium dialysis or microscale LC-MS sampling).
• For biochemical assays, evaluate interference risks such as metal chelation, covalent reactivity (electrophiles), or optical overlap with detection modalities.

Research use only: This product is not intended for diagnostic, therapeutic, or in vivo clinical use. Use in organisms should be governed by institutional approvals and safety assessments.

Buffer Applications

RO-28-1675 is not a buffering agent. However, preparation of assay-ready solutions typically involves dilution into biological buffers.

Practical guidance for buffer use (general):

• Common assay buffers: PBS, HEPES, Tris, or assay-specific formulations with 0.01–0.05% Tween-20 to mitigate nonspecific adsorption if needed.
• Vehicle control: Match the final DMSO (or other cosolvent) concentration across all wells/samples, typically ≤0.5–1% v/v.
• Order of addition: Add DMSO stock to buffer under vigorous mixing to minimize local supersaturation; pre-warm buffer for low-solubility compounds.
• pH considerations: If the compound is ionizable (unknown here), adjust buffer pH to favor the desired ionization state for solubility or permeability, validated experimentally.
• Filtration: Clarify working solutions through 0.2 µm PVDF or PTFE filters if precipitation is observed; verify no significant compound loss to the membrane.

Documentation:

• Record final buffer composition, pH, ionic strength, and cosolvent fraction for reproducibility and cross-lab comparability.

Green Alternatives

Because RO-28-1675 is a test article rather than a solvent or process reagent, green chemistry considerations focus on solvent and handling choices used during its preparation and testing.

Greener choices (general guidance):

• Stock solvent selection: Prefer anhydrous ethanol or 2-methyltetrahydrofuran (2-MeTHF) only if the compound’s solubility and assay tolerance permit; DMSO remains the benchmark for broad compatibility but has persistence concerns.
• Aqueous assays: Minimize organic cosolvent to ≤0.5% v/v; consider cyclodextrin-assisted solubilization to avoid high-boiling polar aprotics.
• Analytics: Use water-rich LC gradients and core-shell columns to reduce organic solvent consumption, when compatible with the analyte.

Comparison (general; literature):

• DMSO: Excellent solvency/biocompatibility; challenging to remove; low volatility; moderate environmental concern.
• Ethanol: Renewable, low toxicity; limited solvency for hydrophobic compounds; higher assay tolerance.
• 2-MeTHF: Bio-based, favorable EHS profile vs THF; variable biocompatibility; good solvency for lipophiles.

Operational tips:

• Scale experiments to minimize waste; consolidate rinses; collect high-boiling polar aprotics separately for proper disposal.
• Evaluate solubility early to avoid repeated preparations and waste generation.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is specified for RO-28-1675. This material is supplied strictly for research use only and is not intended for human or veterinary use.

General, non-clinical context:

• In early discovery, small molecules like RO-28-1675 may be employed as tool compounds in in vitro assays or ex vivo systems to explore biochemical hypotheses. Any preformulation activities (solubility screening, stability in biological media) should be conducted solely to support laboratory research.
• If downstream developability assessments are planned, compile basic data once structure is known: solubility vs pH, chemical stability (pH 2–9), intrinsic clearance in microsomes (where permitted), and plasma protein binding. These activities remain within non-clinical research domains.

Compliance:

• Not GMP-qualified; not accompanied by pharmacopeial monographs. Do not use in manufacturing of drug products or for diagnostic procedures.

Physical Properties

Item-specific physico-chemical data are not provided in the product record.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point / 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.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• pKa, logP/logD: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule library members (literature/good practice):

• Stock solutions are commonly prepared at 10–50 mM in anhydrous DMSO due to DMSO’s broad solubilizing power and assay compatibility at ≤0.5–1% v/v in most biochemical/cell-based systems.
• If water solubility is required, co-solvent approaches (DMSO→buffer dilution), pH adjustment (for ionizable compounds), or inclusion of solubilizers (e.g., 0.01–0.05% non-ionic surfactant) can be evaluated.
• For unknown thermal properties, avoid heating above ambient during dissolution; use sonication and incremental solvent addition.
• Measure actual concentration by UV-Vis or quantitative NMR when feasible, as hygroscopicity or counter-ions (if any) can affect mass-based dosing.
• If the compound is light- or air-sensitive (unknown here), work under low light and inert atmosphere until confirmed otherwise.

Quality and Grades

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

How to interpret and use available quality documentation:

• CoA will typically list identity confirmation (e.g., LC-MS, HRMS, 1H NMR), purity by HPLC/UPLC (area %), and water/volatile content if applicable. For screening use, ≥95% HPLC area purity is commonly targeted; confirm the actual value on the CoA for this lot.
• If a salt form, the counter-ion and assay for residual inorganic content should be noted. Record the exact form (free base/acid vs salt) for correct molarity calculations.
• Low-level stabilizers or formulating excipients (if any) will be listed on the CoA/SDS. None are specified here; assume neat substance unless stated otherwise.

Best practices for assay use:

• Verify purity and identity upon receipt if study outcomes are highly sensitive (e.g., orthogonal LC methods or qNMR for potency).
• For LC-based assays, ensure the solvent cutoff/UV profile of impurities (if reported) does not confound detection at assay wavelengths.
• Document lot-to-lot changes in purity or form to maintain reproducibility in screening cascades.

Reaction and Applications

This product is supplied as a research small molecule for screening and assay development rather than as a synthetic reagent. No manufacturer application notes are provided for chemical reactions.

Typical research applications (general):

• High-throughput or focused screening in biochemical assays (enzyme activity, binding, reporter readouts) to identify activity profiles.
• Cell-based phenotypic assays for pathway interrogation and preliminary SAR hypothesis building when close analogs are available.
• Reference tool compound comparisons and orthogonal assay confirmation to de-risk assay artifacts.

Good practices for use:

• Establish a DMSO stock (10–50 mM), verify solubility, and include DMSO-only vehicle controls at the same final concentration.
• Run counterscreens for assay interference (e.g., redox cycling, fluorescence quenching/inner-filter effects), especially if the compound has extended conjugation or metal-chelating motifs once structure is known.
• Confirm activity with independent methods (biochemical vs cellular), and perform dilution linearity tests to detect aggregation-based inhibition.

If synthetic reactions are intended: Specific reactivity of RO-28-1675 cannot be described without structure. Consult the CoA/Spec Sheet for functional groups and plan transformations accordingly.

Reaction Conditions

Not applicable. RO-28-1675 is supplied for use as a test article in screening and biological/biochemical assays rather than as a reagent or substrate for named organic reactions. No reaction conditions, catalysts, or transformation data are provided for this item.

If chemical transformations are contemplated:

• Obtain the full structure and purity profile from the CoA/Spec Sheet.
• Perform small-scale scouting with standard conditions matched to the functional groups present (e.g., cross-coupling for aryl halides, amide coupling for carboxylic acids/amines), and verify integrity by LC-MS and NMR before scale-up.

Safety and Handling

• GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.
• General hazards for research small molecules: Handle as a potentially harmful chemical with unknown toxicological profile. Avoid inhalation, ingestion, and skin/eye contact.

Recommended PPE and engineering controls:

• Wear lab coat, safety glasses or goggles, and appropriate chemically resistant gloves (e.g., nitrile). Use in a fume hood to control vapors/particulates during weighing and solution prep.

Handling guidance:

• Prepare stocks using clean, dry tools. Minimize exposure of the solid or solution to ambient moisture and air until stability is confirmed from the CoA/SDS.
• If dust-forming, use anti-static measures and gentle manipulation to limit aerosolization.
• Avoid incompatible materials until known (oxidizers, strong acids/bases, and reactive metals are common incompatibilities for organic molecules; confirm via SDS).

First-aid overview (general):

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

Waste and decontamination:

• Collect solutions and contaminated disposables as organic chemical waste per institutional and regulatory guidance.
• Always defer to the product SDS for authoritative safety and emergency information.

Solvent Selection

Item-specific solubility data are not provided; select solvents empirically with a tiered approach suitable for small-molecule test articles.

Recommended workflow (general/literature-based):

• Primary stock solvent: Anhydrous DMSO (commonly 10–50 mM). Test stability at room temperature and 4 °C; minimize freeze-thaw.
• Secondary solvents for characterization: Acetonitrile, methanol, ethanol, isopropanol for analytical prep; DMF or NMP as higher-strength solubilizers when needed.
• Aqueous use: Dilute DMSO stocks into assay buffer to ≤0.5–1% v/v final DMSO. If precipitation occurs, consider co-solvent addition up to 2–5% or pH adjustment when chemically justified.
• Non-aqueous systems: For spectroscopic or reactivity studies, dry aprotic solvents (MeCN, THF, toluene) may be chosen based on the (unknown) functional groups once available.

Small comparison (general):

• DMSO vs DMF: DMSO is more biocompatible in assays but can oxidize sensitive species; DMF offers strong solvency but higher toxicity and regulatory burden.
• MeOH/EtOH: Easier handling and lower toxicity but limited for very lipophilic compounds.

Practical tips:

• Filter solutions (0.2 µm PTFE) if particles persist; confirm no adsorption losses.
• Quantify actual concentration by UV or qNMR for poorly soluble analytes.

Storage and Reconstitution

• Storage conditions (from Product Data): Store at −80 °C.
• Shipment: Shipped on dry ice packs + cold packs.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Reconstitution and handling (general best practice):

• Bring containers to room temperature in a desiccated environment before opening to prevent condensation. Work quickly to minimize moisture uptake.
• Prepare concentrated stocks (e.g., 10–50 mM) in dry DMSO unless item-specific solubility suggests an alternative. Filter if particulates persist (0.2 µm PTFE) and record exact solvent composition.
• Aliquot into inert vials or plates (preferably amber) with minimal headspace; purge with nitrogen/argon if the compound is air-sensitive (unknown here).

Short/long-term stability:

• Store sealed aliquots at −80 °C; avoid frost-free freezers. For working aliquots, keep at −20 °C for short-term use if stability allows; otherwise maintain at −80 °C.
• Minimize freeze–thaw cycles by using single-use aliquots. Track cumulative time at room temperature.

Potency tracking:

• If used in quantitative studies, periodically confirm identity/purity by LC-MS/HPLC after storage. Any degradation or precipitation should prompt preparation of fresh stock.

Note: Item-specific stability, hygroscopicity, and light sensitivity are not specified; consult the CoA/SDS for definitive guidance.

Structure and Identity

• Product name: RO-28-1675 (research small-molecule library member)
• CAS: 300353-13-3
• 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: Not specified for this item; refer to CoA/Spec Sheet. Without a structure, functional groups, ring systems, and stereochemistry cannot be described.

Context and use notes (general):

• RO-28-1675 is supplied as part of a small-molecule/compound library offering and is intended as a research tool compound for screening, assay development, or exploratory mechanism studies. Item-specific identity parameters should be confirmed against the accompanying Certificate of Analysis (CoA) prior to use in quantitative work.
• If structure becomes available, record and track: heteroatoms, ionizable centers, HBD/HBA count, rotatable bonds, and calculated properties (cLogP, TPSA) for informatics and solubility planning.

Synthetic Utility

RO-28-1675 is provided as a finished small molecule for screening; it is not positioned as a synthetic building block. Without structural information, its chemical reactivity, functional handle availability, or suitability for derivatization cannot be assessed.

If derivatization becomes relevant (general guidance):

• Upon obtaining the structure, identify modifiable positions (e.g., halides for cross-coupling, amines/carboxyls for amide coupling, heteroaromatic C–H positions for Minisci-type functionalization) to generate SAR analogs.
• Consider late-stage diversification strategies (SuFEx, photoredox C–H functionalization) only after mapping intrinsic liabilities (redox, hydrolysis).
• For bioconjugation or target ID workflows, assess potential for introduction of tags (alkynes/azides for click chemistry) away from pharmacophore elements.

Until such information is available, treat RO-28-1675 as a test article, not a reagent for general synthetic transformations.

Target Specificity

Target, mechanism, or selectivity information is not provided for RO-28-1675. No claims are made regarding biochemical targets, receptor classes, or enzyme families.

Guidance for researchers:

• If literature annotations exist for this CAS (300353-13-3), independently verify target engagement using orthogonal assays and concentration–response analyses.
• Employ broad counterscreens to assess selectivity versus common off-targets relevant to your assay space.