MK204 , CAS No.1959605-73-2

CAS: 1959605-73-2 Cat. No.: M1438713 分子式: C₁₆H₉Br₅ClNO₄ 分子量: 714.22 PubChem CID: 122174240

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

MK204 is an aldose reductase ( AR ) inhibitor that can be used in diabetes research.

Specifications

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

名前と識別子

カノニカル・スマイル

C1=CC(=C(C=C1Cl)OCC(=O)O)C(=O)NCC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

IUPAC Name

2-[5-chloro-2-[(2,3,4,5,6-pentabromophenyl)methylcarbamoyl]phenoxy]acetic acid

InChIKey

QYSFXUVFRUYJCZ-UHFFFAOYSA-N

INCHI

1S/C16H9Br5ClNO4/c17-11-8(12(18)14(20)15(21)13(11)19)4-23-16(26)7-2-1-6(22)3-9(7)27-5-10(24)25/h1-3H,4-5H2,(H,23,26)(H,24,25)

異性体SMILES

C1=CC(=C(C=C1Cl)OCC(=O)O)C(=O)NCC2=C(C(=C(C(=C2Br)Br)Br)Br)Br

PubChem CID

122174240

分子量

714.22

Application Protocols

No validated application protocols are provided for MK204 in the product data. As a general framework for small-molecule screening:

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM. Sonication or gentle heating (≤40 °C) may aid dissolution if stable.
• Filtration: If particulate is present, filter through 0.2 μm PTFE into sterile vials.
• Aliquoting: Dispense single-use aliquots to avoid freeze–thaw cycles.
• Assay dilution: Add to assay buffers to achieve the desired final concentration, keeping DMSO vehicle at acceptable levels (commonly 0.1–1%). Mix thoroughly to avoid precipitation.
• QC: Verify concentration by UV (if chromophore present) or LC–MS/quantitative NMR against an internal standard.

Please consult any internal SOPs and the SDS once available. Application specifics should be adapted to the confirmed structure and assay modality.

Biological Roles

No biological function, target class, or pathway annotations are provided for MK204 in the product data. Without a defined structure or mechanistic description, specific biological roles cannot be stated.

General guidance for small-molecule library members:

• Treat as a putative bioactive or probe candidate subject to empirical validation in your assay of interest.
• Evaluate aggregation, redox activity, and assay interference (e.g., PAINS filters) after the structure is confirmed.
• Determine basic physicochemical properties (clogP, pKa, TPSA) from the confirmed structure to anticipate permeability, solubility, and non-specific binding.

Note: This product is for research use only. It is not intended for human or veterinary use or as a diagnostic or therapeutic agent. Any biological activity claims should be derived from your own assay results or peer-reviewed literature associated with the exact structure and lot.

Buffer Applications

This section is not typically applicable. MK204 is provided as a small-molecule library component rather than a buffering reagent, and no acid/base parameters (pKa values, buffering capacity) are specified.

Practical note:

• If MK204 must be used in aqueous buffers for biological assays, prepare a concentrated DMSO stock and dilute into the buffer to the desired final concentration, keeping vehicle (DMSO) at or below the assay’s tolerated percentage (often 0.1–1%).
• Verify solution clarity and stability upon dilution; some compounds precipitate in phosphate or high-ionic-strength buffers.

For formulation-grade buffering systems, refer to dedicated buffers (PBS, HEPES, Tris, MOPS) with known pKa and working ranges.

Green Alternatives

Specific green-chemistry considerations require knowledge of the compound’s structure and intended process. Since MK204’s solvent compatibility and hazard profile are not specified, consider these general greener practices for small-molecule handling:

• Prefer DMSO or ethanol for stock solutions when feasible, as they are broadly accepted with lower environmental impact compared to chlorinated solvents.
• For chromatographic purification (if applicable), explore ethyl acetate/heptane systems rather than dichloromethane/hexane; consider supercritical CO2 for scalable separations.
• Minimize solvent volumes by preparing higher-concentration stocks when solubility allows, and use miniaturized assay formats to reduce waste.
• Adopt microscale reactions and parallel screening to lower resource use if any derivatization is performed.
• Implement solvent recycling and proper waste segregation to facilitate recovery and reduce hazardous waste.

Trade-offs (general):

• Greener solvents may reduce solubility for some scaffolds, necessitating small percentages of higher-impact co-solvents.
• Aqueous systems improve EHS profiles but can compromise stability for hydrolysis-prone compounds.

Once the structural class is known, a tailored green-solvent matrix can be recommended.

Pharmaceutical Uses

No excipient role, pharmacopeial status, or processing application is specified for MK204. As listed, it is a research-use small molecule within a compound library and is not positioned as a pharmaceutical excipient or active ingredient.

Context (general, non-clinical):

• Library compounds can be used in early discovery screening and medicinal chemistry hypothesis testing, but they are not qualified for GMP manufacturing or clinical applications.
• If development advances, migration to GMP-compliant sourcing, impurity profiling, and stability programs would be required for any use beyond basic research.

Statement of use: For research use only; not for human or veterinary use.

Physical Properties

Item-specific physical constants are not provided in the product data. For screening compounds, such values are typically confirmed on the CoA or in database records (e.g., PubChem) linked to the given CAS/CID.

• 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. If unknown, a standard solubility screening sequence (DMSO → DMF → MeOH/EtOH → acetonitrile → 1:1 DMSO/water) is recommended.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa: 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.

General guidance (literature/practice):

• Library compounds are commonly supplied as solids or dried films and reconstituted in dry DMSO at 10–50 mM for screening.
• If the compound is moisture-sensitive or has labile functionalities, minimize time at ambient humidity during weighing and dissolve promptly in anhydrous solvent.

Quality and Grades

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

Interpretation and guidance:

• In compound-library contexts, materials are often supplied at research grade with purity typically verified by LC–MS and/or HPLC. Since this listing does not state a grade or purity, verify by reviewing the lot-specific CoA (typical metrics include HPLC area % purity, MS ion, and sometimes NMR).
• UV cutoff, water content (KF), residual solvents, and metal content are not specified for this item; refer to CoA/Spec Sheet. If your application is analytical (e.g., reference standard), request enhanced documentation.
• Stabilizers: Not specified for this item; refer to CoA/Spec Sheet. If none are listed, assume neat compound only and store accordingly.

What the grades generally mean (general knowledge):

• Research grade: suitable for discovery work, screening, and method development.
• Analytical/Reference grade: additional testing for identity and purity with tighter specifications and traceability.

Recommendation:

• For screening, confirm purity ≥95% by HPLC or LC–MS before hit confirmation. For synthesis or SAR, consider re-purification if necessary to meet internal thresholds.

Reaction and Applications

Item-specific reactivity and application notes are not provided and cannot be inferred without structure. As a small-molecule library constituent, MK204 is most likely intended for:

• High-throughput screening (HTS), fragment or lead-like screening, or cheminformatics evaluation within a compound set.
• Analytical characterization and verification workflows (LC–MS, HPLC, NMR) to confirm identity/purity prior to screening.

Practical considerations (general best practices):

• Verify identity by LC–MS using the CAS/CID mapping; acquire reference spectra for future QC.
• Prepare concentrated stocks in anhydrous DMSO under dry atmosphere to minimize hydrolysis of potentially labile moieties.
• If solution stability is unknown, perform a small-scale stability study (e.g., LC at t0/24/72 h at ambient and 4 °C) in the chosen solvent.
• For plate-based assays, minimize freeze–thaw cycles by aliquoting single-use volumes; avoid prolonged exposure to light if chromophores are suspected.

If the structure is obtained from the CoA or database, reaction or application guidance can be tailored (e.g., electrophile/nucleophile behavior, metal-binding motifs, redox activity). Until then, treat MK204 as a generic, research-use small molecule.

Reaction Conditions

Item-specific reaction conditions are not available because the structure and functional groups of MK204 are not provided. Therefore, no credible guidance on temperature windows, catalysts, or yields can be offered.

General lab practices for handling unknown/novel small molecules:

• Conduct small-scale solubility and stability tests in common solvents (DMSO, MeOH, ACN) at room temperature and 37 °C, monitoring by LC.
• Avoid strong acids/bases and high temperatures until stability is established.
• If derivatization is attempted for probe development, begin with mild conditions (e.g., carbamate/amide formation with standard coupling reagents) after confirming compatible functional groups from the structure.

Refer to the CoA or structural database entry for MK204 to enable condition selection based on functional group chemistry.

Safety and Handling

Hazard classification data are not included in the provided product information and may vary with supplier lot. Always consult the SDS for authoritative guidance.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / Pictograms / H-Statements: Not specified for this item; refer to SDS.
• Primary PPE: Lab coat, safety glasses, disposable nitrile gloves. Use in a chemical fume hood to avoid inhalation exposure.
• General precautions: Avoid dust formation and aerosolization. Prevent skin/eye contact and ingestion. Wash hands thoroughly after handling.
• Storage incompatibilities: Unknown for this specific item; as a conservative practice, store away from oxidizers, acids/bases, and ignition sources until the structure and hazards are confirmed.
• Special risks: For novel or screening compounds, assume potential for irritation or acute toxicity. Avoid heating to decomposition. If supplied as a powder, handle with minimal disturbance to reduce airborne particles.
• First aid (overview; defer to SDS):
  • Inhalation: Move to fresh air; seek medical attention if symptoms persist.
  • Skin contact: Wash with soap and water; remove contaminated clothing.
  • Eye contact: Rinse cautiously with water for several minutes; seek medical advice if irritation continues.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Waste: Collect as organic hazardous waste pending SDS-based classification.

Solvent Selection

Because no structure or polarity parameters are provided, specific solvent recommendations for MK204 cannot be made. The following general approach is commonly used for small-molecule library compounds:

• Primary stock solvent: DMSO (anhydrous) is the default for discovery screening; attempt dissolution at 10–50 mM.
• If insoluble in DMSO, try: DMF, NMP, methanol, ethanol, or acetonitrile. For aqueous work, co-solvent systems (e.g., 1–5% DMSO in buffer) are typical.
• For highly lipophilic compounds, consider a small amount of PEG-400 or Tween 80 as solubilizers for biological assays (ensure compatibility with the assay system).
• Filtration: 0.2 μm PTFE for nonaqueous solutions; PVDF/nylon for mixed aqueous systems (verify compatibility).

Comparison notes (general):

• DMSO vs DMF: DMSO is more biocompatible at low percentages in aqueous assays; DMF can enhance solubility for certain polar-neutral scaffolds but is less favored in biology.
• MeOH/EtOH vs ACN: Alcohols can improve dissolution for H-bonding solutes; acetonitrile is better for neutral, mid-polar analytes but has lower water tolerance for some assays.

Always record the final solvent composition carried into assays to control for vehicle effects.

Storage and Reconstitution

Item-specific storage and shipping details are provided and should be followed strictly.

• Storage conditions: Store at −20 °C (as provided). Protect from moisture and light until structural/stability data are confirmed.
• Shipped in: Ice chest + ice pads (as provided), indicating temperature control during transit.
• Container: Keep tightly closed in the original container or transfer to an inert, moisture-tight vial (e.g., amber glass with PTFE-lined cap). Consider desiccation.
• Reconstitution: If supplied as a solid or film, dissolve in anhydrous DMSO to prepare 10–50 mM stocks, unless the CoA suggests an alternative solvent. Record solvent and concentration on the vial.
• Aliquoting: Prepare single-use aliquots to minimize freeze–thaw. Store aliquots at −20 °C; avoid frost-free freezers that cycle temperatures.
• Stability: Not specified for this item; refer to CoA/Spec Sheet. If unknown, perform a short-term stability check by LC at defined intervals and temperatures.
• Handling at use: Thaw on ice, mix gently, and return unused aliquots to −20 °C promptly. Discard aliquots showing precipitation or discoloration unless confirmed acceptable by analysis.

Research Use Note: For research use only.

Structure and Identity

This item is listed as a small-molecule library component, but detailed structural identifiers are not provided in the product data.

• Product name: MK204 (catalog identifier)
• CAS: 1959605-73-2
• PubChem CID: 122174240
• InChIKey: 309976 (as provided; note this appears non-standard/abbreviated for an InChIKey; consult CoA/SDS for the full key)
• 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 and 2D description:

• Not specified for this item. Without a SMILES or structure diagram, we cannot summarize rings, heteroatoms, or stereocenters. Please refer to the certificate of analysis or the library annotation file for full structural details.

Notes:

• MK204 appears in a “small molecules and compound library” context; if you are screening, ensure your informatics system maps the CAS/CID to retrieve the definitive structure and identifiers before use.

Synthetic Utility

Specific synthetic roles for MK204 cannot be articulated without structural information (functional groups, reactive handles, stereochemistry). No reactive motifs or protecting-group implications are provided in the current data.

General recommendations once the structure is available:

• Identify nucleophilic/electrophilic centers, heteroatoms, and potential metal-binding sites to guide cross-coupling, SNAr/SN2, or condensation strategies.
• If chiral, assess enantiopurity and consider asymmetric synthesis or resolution strategies.
• Map potential liabilities (e.g., hydrolyzable esters, oxidizable anilines) to plan protection or late-stage diversification.

Until the CoA or structural file is obtained, treat MK204 as a screening compound rather than a synthetic building block.

Target Specificity

Not applicable for this listing. MK204 is a small-molecule library component, not an antibody or biologic reagent. No target, binding epitope, or selectivity profile is provided in the product data.

If the structure and any bioactivity data are later obtained (e.g., from internal screening), record target annotations, potency, and selectivity metrics in your ELN/SDMS for future reference.

よくある質問

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1959605-73-2, the molecular formula is C16H9Br5ClNO4, and the molecular weight is 714.22 g/mol. InChIKey QYSFXUVFRUYJCZ-UHFFFAOYSA-N.

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.