MRV03-069 , CAS No.2797066-35-2

CAS: 2797066-35-2 Cat. No.: M1451433 Fórmula: C₁₃H₁₉BN₂O₄ Peso molecular: 278.11

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

MRV03-069 (Compound 3) is a selective colibactin-activated peptidase ( ClbP ) inhibitor that blocks the genotoxic effect of Colibactin on eukaryotic cells. MRV03-069 can be used in colorectal cancer research.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Peso molecular: 278.11

Application Protocols

Item-specific facts (from Product Data)

• No validated protocols or recommended dilutions are provided for this item.

General small-molecule handling in assays (not item-specific)

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM; vortex and, if needed, sonicate briefly. Filter through 0.2 µm PTFE for clarity.
• Aliquoting: Dispense single-use aliquots (5–50 µL) to minimize freeze–thaw. Store at −20°C or below, protected from light and moisture.
• Working solutions: Prepare fresh dilutions in assay buffer immediately prior to use. Maintain constant vehicle concentration across all wells/samples.
• Controls: Include vehicle-only control, positive control (if known), and orthogonal readouts to detect assay interference (e.g., red-shifted detection to avoid autofluorescence).
• Documentation: Record lot number, stock concentration, solvent, and preparation date for data traceability.

These are general guidelines; adapt to the specific assay format (enzyme kinetics, receptor binding, cell viability, etc.).

Biological Roles

Item-specific facts (from Product Data)

• No biological target, pathway, or role is specified for MRV03-069.

General guidance (not item-specific)

• As a life-science–category research reagent, MRV03-069 may be evaluated as a small-molecule modulator in discovery studies. However, no biological function, mechanism, or target is claimed or implied for this item.
• When elucidating biological roles, recommended workflows include: target deconvolution (affinity capture, CETSA, chemoproteomics), orthogonal validation in genetic models, and dose–response profiling with time-course analysis.
• Assess potential liabilities such as PAINS/IMPs behavior, redox cycling, colloidal aggregation, and autofluorescence, which can confound readouts.

Compliance note

• For research use only. Not for diagnostic, therapeutic, or clinical applications. Any assignment of biological role must be generated and validated by the end user.

Buffer Applications

Item-specific facts (from Product Data)

• No buffer system or pKa information is provided for this item.

Applicability

• MRV03-069 is not presented as a buffering reagent. Buffer preparation guidance therefore does not directly apply. Instead, focus on preparing compatible assay solutions for small-molecule testing.

General laboratory guidance (not item-specific)

• Prepare concentrated stocks in DMSO or ethanol, then dilute into assay buffers such as PBS, HEPES, Tris, or acetate, keeping final organic co-solvent ≤0.1–1% v/v as assay permits.
• To mitigate precipitation upon dilution: pre-warm buffer, add stock slowly with mixing, and consider including non-ionic surfactant at low levels (e.g., 0.01–0.05% Tween-20) if compatible with the assay.
• Verify compound stability in the chosen buffer over the assay timescale (LC–MS at 0, 2, 24 h) and monitor for adsorption to plastics.

Note: For any buffering or pH-dependent work, determine compound pKa and pH–solubility profile experimentally once structure is known.

Green Alternatives

Item-specific facts (from Product Data)

• No solvent or process is specified for this item.

General greener-practice guidance (literature; not item-specific)

• Stock solutions: If possible, use aqueous buffers with minimal DMSO or ethanol co-solvent while maintaining solubility and assay performance.
• Prefer solvents with better EHS profiles when feasible: ethanol and water over DMF/NMP; ethyl acetate and 2-MeTHF over dichloromethane for workups and purifications (if the compound chemistry permits).

Comparison of common solvents (general)

• Water/Buffer: greenest; may limit solubility for hydrophobic molecules.
• Ethanol: renewable, relatively low toxicity; may affect biological assays >1% v/v.
• DMSO: effective solvency; moderate EHS profile; widely accepted at low percentages.
• DMF/NMP: strong solvency but reproductive toxicity concerns; avoid in routine handling where alternatives exist.

Operational tips

• Minimize solvent volume via high-concentration stocks and small dead volumes in plates.
• Recycle or distill suitable solvents when compliant with institutional policies.
• For purification, consider reverse-phase chromatography to reduce halogenated solvent use.

Pharmaceutical Uses

Item-specific facts (from Product Data)

• No pharmacopeial status, excipient role, or formulation use is specified.

Scope and limitations

• MRV03-069 is supplied for research use only and is not approved for human or veterinary use. No claims are made regarding suitability for clinical formulation or manufacturing.

General pre-formulation considerations (not item-specific)

• If used in early discovery studies, pre-formulation screens may assess: solubility across pH, cosolvent tolerance, stability (hydrolysis/oxidation), and compatibility with common vehicles (e.g., DMSO, PEG 300/400, Captisol, polysorbates) for in vitro/in vivo research models.
• Solid-state characterization (XRPD, DSC/TGA, hygroscopicity) can inform storage and handling.
• Impurities (residual solvents, inorganic salts, degradants) should be profiled when pharmacology studies are planned.

Regulatory note

• Any GMP, ICH, or pharmacopeial compliance aspects are outside the scope of this product listing and would require a separate quality agreement and material grade, if available.

Physical Properties

Item-specific facts (from Product Data)

• Physical state/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.
• Refractive index: 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)

• For uncharacterized small molecules, an initial solubility screen commonly includes: DMSO (up to 100 mg/mL), DMF, ethanol, methanol, acetonitrile, isopropanol, then buffered aqueous media with co-solvent (0.1–2% DMSO or ethanol).
• If aqueous work is required, assess pH-dependent solubility (e.g., citrate pH 3–6, phosphate pH 6–8, Tris pH 7–9) using small-scale titrations.
• Hygroscopic or amorphous solids may show variable apparent melting. Use DSC/TGA for definitive thermal behavior.

Notes

• Do not treat the above as specifications. Obtain definitive values from the product’s CoA/SDS or measure under your laboratory conditions for critical work.

Quality and Grades

Item-specific facts (from Product Data)

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

Interpretation and guidance (general)

• When a specific grade is not listed, the product is typically intended for research-use applications. Purity, assay methodology (HPLC/GC/LC–MS), and residual solvent/moisture limits should be verified in the CoA.
• Analytical expectations for small-molecule research reagents usually include: HPLC purity (% area), 1H NMR spectrum, and MS confirmation. Where performance is sensitive to trace metals or peroxide content, request expanded impurity profiles.
• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet. If your application is surface-sensitive or biological, confirm the absence/presence of stabilizers and counter-ions (e.g., TFA salts) that can interfere.
• Batch-to-batch consistency: For screening or SAR, lock to a single lot when possible, or qualify new lots with a fit-for-purpose panel (HPLC retention time, potency check, water content by KF).

Documentation

• CoA and, if available, a detailed Specification Sheet are the authoritative sources for acceptance criteria. Do not treat literature values as quality specifications.

Reaction and Applications

Item-specific facts (from Product Data)

• Manufacturer Applications: Not provided beyond category “生命科学 (Life Science)” and Research Use Only.

Context and general research applications (not item-specific)

• Compounds labeled with project codes (e.g., MRV03-069) are often used as: screening hits/leads, tool compounds for pathway interrogation, or chemical biology probes in discovery workflows.
• Typical uses include: potency/affinity determination in biochemical or cell-based assays, phenotypic screening, ADME profiling, selectivity panels, and preliminary structure–activity relationship (SAR) exploration.

Good practices

• Establish compound integrity before testing: confirm purity/identity (HPLC/LC–MS/NMR) and check for aggregation (e.g., detergent-sensitive inhibition, DLS) and redox interference where relevant.
• Control for assay artifacts: include vehicle controls (DMSO), counter-screens for fluorescence/absorbance interference, and orthogonal assay formats.
• Where the target class is unknown, run broad selectivity panels (kinases, GPCRs, ion channels, etc.) based on your research focus. Record exact lot identifiers to correlate results with material provenance.

Note: No specific reaction chemistry or named-reaction utility can be provided without structural information.

Reaction Conditions

Item-specific facts (from Product Data)

• None provided; reaction conditions are not applicable without structural information.

General notes (not item-specific)

• If using this material as a substrate, first establish compatibility by micro-scale trials across solvent polarity, temperature, and pH windows. Monitor by LC–MS to map degradation pathways.
• Photostability and oxidative stability should be assessed if light or air exposure is expected. Consider inert atmosphere (N2/Ar) and antioxidants where justified by data.

Because no functional groups are disclosed, no named-reaction conditions or expected yields can be responsibly suggested for this item.

Safety and Handling

Item-specific facts (from Product Data)

• GHS Classification: Not specified for this item; refer to SDS.
• Signal Word: Not specified for this item; refer to SDS.
• Hazard Statements (H-codes): Not specified for this item; refer to SDS.
• Pictograms: Not specified for this item; refer to SDS.
• Storage Conditions: Store at −20°C.
• Shipped In: Ice chest + ice pads.

General laboratory precautions (good practice; not item-specific)

• Use in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile). Avoid inhalation of dust/vapors and skin/eye contact.
• Unknown hazard profile: handle as potentially harmful. Avoid ingestion and aerosol formation; minimize exposure until hazards are confirmed via SDS.
• Incompatibilities are unknown; segregate from strong oxidizers/reductants, strong acids/bases until compatibility is established. Protect from moisture and light as a precaution.
• First aid overview: in case of skin/eye contact, rinse with water for ≥15 minutes; if inhaled, move to fresh air; if ingested, rinse mouth. Seek medical attention in all cases of exposure. Defer to SDS for authoritative instructions.
• Waste: collect as organic chemical waste. Do not discharge to drains. Follow institutional and regulatory requirements.

Note: Always consult the official SDS for definitive hazard, exposure limits, spill response, and firefighting measures.

Solvent Selection

Item-specific facts (from Product Data)

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

General selection strategy (for unknown small molecules)

• Primary stock solvent for bioassays: DMSO, owing to broad solvency and biological compatibility in low final percentages (typically ≤0.1–1% v/v in assay).
• Secondary options: DMF, NMP, ethanol, methanol, acetonitrile, isopropanol. For water use, consider co-solvent systems or pH adjustment based on acid/base functionality (once known).
• Avoid nonpolar hydrocarbons for biochemical work unless required; they can disrupt plastics and are rarely compatible with aqueous assays.

Quick comparison (literature, typical)

• DMSO: very high solvency; miscible with water and organics; acceptable in many biological assays at ≤0.5% v/v.
• Ethanol: good solvency; generally tolerated up to ~1–2% v/v in cells/enzymes, but assay-dependent.
• Acetonitrile: good solvency; more volatile; tolerance varies; often used for HPLC sample prep.

Practical tips

• Filter stocks (0.2 µm PTFE) if particulate forms. Verify concentration by UV/Vis or quantitative NMR where feasible.
• Test adsorption to plastics; borosilicate glass or low-bind polypropylene can reduce losses for hydrophobic compounds.

Storage and Reconstitution

Item-specific facts (from Product Data)

• Storage Conditions: Store at −20°C.
• Shipped In: Ice chest + ice pads.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (not item-specific)

• Upon receipt: Allow the sealed container to equilibrate to room temperature before opening to avoid condensation. If moisture sensitivity is suspected, handle under dry atmosphere.
• Reconstitution: For solid material, prepare a concentrated stock (e.g., 10–50 mM) in an appropriate solvent such as anhydrous DMSO. For supplied solutions, verify concentration and solvent on the label/CoA.
• Aliquoting: Prepare single-use aliquots to avoid repeated freeze–thaw. Store aliquots tightly sealed at −20°C (or per CoA). Protect from light if chromophoric groups are suspected.
• Stability: Not specified for this item; refer to CoA/Spec Sheet. If stability data are absent, assess over 1–4 weeks by LC–MS/HPLC and avoid prolonged exposure to air, light, and moisture.
• Thawing: Thaw on ice or at ambient temperature; mix gently to ensure homogeneity. Do not heat above ambient unless solubility requires; re-filter if precipitation occurs.

Research use only: Not for human or veterinary use.

Structure and Identity

Item-specific facts (from Product Data)

• SKU: M1451433
• Product Name: MRV03-069
• CAS: 2797066-35-2
• 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.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Structural description

• Structural features (ring systems, stereocenters, functional groups): Not provided in the current listing. Without a structure, stereochemistry and functional group content cannot be summarized.

Professional notes

• Identity confirmation is typically supported by supplier CoA (e.g., LC–MS, 1H NMR, HPLC purity). If your application is sensitive to isomerism or counter-ions, request detailed analytical data (salt form, residual solvents, water content) prior to use.
• If you generate your own identity data, report with unambiguous descriptors (InChI, InChIKey) to ensure cross-database consistency.

Synthetic Utility

Item-specific facts (from Product Data)

• No structural or functional group information is provided; synthetic use cannot be described for this specific item.

General guidance (not item-specific)

• Without known functionality, MRV03-069 should be treated as a finished research compound rather than a building block. If you intend to use it in synthesis (e.g., late-stage diversification), request or determine full structural information to evaluate reactive handles, protecting-group strategy, and chemoselectivity risks.
• For derivative preparation or bioconjugation, confirm presence/absence of nucleophiles (amines, alcohols, thiols) or electrophiles (acyl halides, activated esters) before planning couplings.
• If the compound is a salt, identify the counter-ion; exchange to a free base/acid or alternate salt as needed for downstream chemistry.

Target Specificity

Item-specific facts (from Product Data)

• Target/epitope/clone/isotype: Not applicable; this is not an antibody or biologic reagent.

Notes

• No target, selectivity profile, or binding data are provided for MRV03-069. Any specificity must be established by the end user through appropriate biochemical or cellular assays.
• For discovery programs, consider orthogonal assays and counter-screens to deconvolute off-target effects.