MK-4541 , CAS No.796885-38-6

CAS: 796885-38-6 Cat. No.: M1440073 分子式: C₂₂H₃₁F₃N₂O₃ 分子量: 428.49

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

MK-4541 is an orally active and selective androgen receptor ( AR ) modulator. MK-4541 acts as an antagonist to inhibit 5α-reductase. MK-4541 inhibits proliferation and induces apoptosis in AR positive prostate cancer cells. MK-4541 significantly inhibited the growth of R3327-G prostate tumors in xenograft mouse model.

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

ANTAGONIST

名前と識別子

分子量

428.49

Application Protocols

No validated, item-specific protocols are supplied for MK-4541 in this listing.

Generalized workflow for small-molecule screening (non-item-specific guidance):

• Stock preparation: dissolve in dry DMSO to a convenient concentration (e.g., 10–50 mM if soluble). Vortex and, if needed, sonicate briefly. Filter through 0.22 µm PTFE for analytical uses.
• Aliquoting: dispense single-use aliquots in low-bind tubes or plates; freeze at -20 °C or below to avoid repeated freeze–thaw.
• Dosing: back-dilute into assay buffer/media, keeping final DMSO typically ≤0.1–0.5% v/v. Include vehicle controls matched to the highest DMSO percentage used.
• Plate handling: minimize edge effects by equilibrating plates at assay temperature and humidity; mix gently to avoid precipitation.
• Data quality: incorporate positive controls, negative controls, and blanks; run serial dilutions for EC50/IC50 determination; monitor compound stability by LC-MS where feasible.

These steps are provided as general best practices and are not validated specifically for MK-4541.

Biological Roles

No biological function or target annotation is provided for MK-4541 in this catalog entry.

• Catalog stance: For research use only. No claims are made regarding biological activity, MOA, or pathway engagement.
• Literature caution: Compounds bearing internal code names may have reported activities in the scientific literature. Such information is not vetted or asserted here. If you intend to use literature-reported biology, independently verify against the CAS number (796885-38-6), confirm the structure and salt/form, and cross-check potencies and selectivity in your assay system.
• Practical considerations (general):
  • Establish assay window with appropriate controls and verify vehicle tolerance.
  • Evaluate stability in the biological matrix (serum, buffer, culture media) and potential for protein binding or adsorption to plastics.
  • Consider permeability and efflux liabilities if conducting cellular studies; employ permeability surrogates (e.g., PAMPA) or direct uptake measurements when feasible.

No organismal roles, metabolic pathways, or endogenous relevance are ascribed to this item by Aladdin Scientific.

Buffer Applications

MK-4541 is not a buffering reagent. No buffer capacity or pKa set is provided.

General assay buffer guidance for small-molecule testing (non-item-specific):

• Choose a buffer system appropriate to assay pH (examples: phosphate or HEPES for pH 6.8–7.6; Tris for pH 7.5–8.5; acetate or citrate for acidic assays). Maintain ionic strength consistent with biological targets.
• Keep organic co-solvent low. As a starting point, many assays tolerate ≤0.1–0.5% DMSO; verify tolerance for your system. Match vehicle controls accordingly.
• Additives to improve solubility/stability: 0.01–0.05% nonionic surfactant (Tween 20/80, Pluronic F-127) or cyclodextrins if compatible with the readout.
• Filtration: 0.22 µm filtering can prevent particulates that confound optical or binding assays.

These are general recommendations and not specifications for this item.

Green Alternatives

Green chemistry considerations (general guidance for handling discovery compounds; no item-specific data provided):

• Stock preparation: prefer DMSO over DMF/NMP where possible due to improved toxicity profile and lower regulatory burden. For certain assays, aqueous cyclodextrins or PEG-400 can aid solubilization and reduce volatile organic solvent use.
• Workup and analytics: use MeCN over halogenated solvents where chromatographically acceptable; consider water-rich gradients to minimize organic consumption.
• Process minimization: prepare higher-concentration master stocks to reduce solvent volume and packaging waste; aliquot to extend shelf-life and lower repeat solvent usage.

Illustrative comparison (general; not item-specific):

• DMF/NMP vs DMSO: DMSO is generally preferred for bioassays; DMF/NMP have higher reproductive toxicity concerns.
• Chlorinated solvents (DCM/CHCl3) vs ethyl acetate/MeTHF: greener alternatives provide lower toxicity and better safety, but may change solubility and evaporation rates.
• Cyrene or propylene carbonate can replace DMF/MeCN in some synthetic contexts; assess compatibility with your analytics and assay readouts.

Note: Selection of a “green” solvent must still meet the compound’s solubility and stability requirements—run a small solvent/stability screen before adopting alternatives.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing application is provided for MK-4541 in this listing.

• Research use only: not for human or veterinary use, clinical diagnostics, or as an active pharmaceutical ingredient.
• Formulation context (general guidance only): if formulating for preclinical research, typical approaches include DMSO-based concentrates followed by dilution into aqueous vehicles (e.g., PEG-400/saline, 0.5% methylcellulose, or Captisol solutions), subject to institutional approvals. These are not recommendations for this specific item and must be tailored to the compound’s verified properties and local regulations.
• Regulatory note: no claims are made regarding GMP status, ICH stability data, or compendial compliance.

For any translational or regulated use, obtain comprehensive quality documentation and conduct full CMC characterization; this listing does not supply that information.

Physical Properties

Item-specific physical constants are not provided in this listing.

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

General laboratory guidance (literature/practice-based, not item specifications):

• Many discovery compounds are supplied as solids that are readily soluble in anhydrous DMSO and variably soluble in MeOH, EtOH, or DMF. Aqueous solubility frequently benefits from co-solvent (e.g., 0.1–1% DMSO) or pH adjustment if the molecule is ionizable.
• Suggested small-scale solubility screen (general): weigh ~1 mg; attempt dissolution in 100 µL dry DMSO (10 mg/mL), then back-dilute to working media. If insoluble, test DMF or MeOH, then EtOH, then buffered aqueous with co-solvent and gentle warming (≤40 °C) and sonication. Filter through 0.22 µm when preparing analytical or biological stocks.
• Hygroscopicity and polymorphism are unknown for this item; minimize ambient exposure until the physical form is confirmed by CoA/SDS.

Quality and Grades

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

Guidance for interpreting typical grades (general information; not specific to this item):

• Screening/Discovery-grade small molecules are commonly supplied at high chemical purity (often ≥95% by HPLC area) with identity confirmation (e.g., LC-MS, 1H NMR). However, exact acceptance criteria vary by supplier and lot and MUST be verified on the CoA.
• If UV-sensitive, stabilizers or amber packaging may be used; none are specified here.
• Residual solvent, water content (Karl Fischer), metal content, and chromatographic absorbance limits are not specified for this item; refer to the CoA if these parameters are critical to your application (e.g., photoassays or metal-catalyzed reactions).

Recommendations:

• Request and review the CoA for: assay purity, identity (MS/NMR), water/volatile content, residual solvents, and any known counter-ions or salt forms.
• If using in quantitative biology, confirm lot-specific potency by internal reference assays where feasible.
• For stability-sensitive chemotypes, consider aliquoting upon receipt (see Storage & Reconstitution).

Reaction and Applications

This product is offered as a research small molecule rather than a synthetic reagent; no specific reaction applications are provided in the Product Data.

General research applications (non-item-specific guidance):

• Tool compound use: preparation of DMSO stocks for biochemical or cell-based screening, concentration–response curves, and mechanistic studies. Employ robust plate maps with positive/negative controls and vehicle controls at matched DMSO.
• Orthogonal confirmation: corroborate activity via multiple assay formats (e.g., biochemical vs. biophysical vs. cellular) to de-risk assay artifacts, aggregation, or redox cycling. Include counter-screens for pan-assay interference compounds (PAINS) if relevant.
• Stability checks: assess compound integrity by LC-MS after assay incubation (e.g., 0 and end-point samples) to rule out hydrolysis or oxidation.
• Adsorption mitigation: use low-bind plastics or glass, add 0.01–0.05% nonionic surfactant if compatible, and minimize dwell time in aqueous media prior to dosing.

If you intend to use MK-4541 in synthetic chemistry: no guidance is provided here regarding functional groups or reactivity. Obtain the structure and consult literature before attempting derivatization, cross-coupling, or protection–deprotection schemes.

Reaction Conditions

No reaction conditions are provided for MK-4541 because it is listed as a research-use small molecule rather than a reagent.

If you plan chemical modification (general guidance only):

• Solvents: choose based on solubility—DMSO, DMF, MeCN, dioxane, or 2-MeTHF are common; water or buffered media may be possible for bioconjugation if appropriate handles exist.
• Temperatures: begin at ambient; escalate cautiously while monitoring by TLC/LC-MS. Protect from light if chromophores are suspected.
• Catalysis: for cross-couplings or C–N/C–C formations, select palladium or copper systems compatible with the functional groups present; ligand/base choices are structure-dependent.
• Workup: prefer non-chlorinated solvents when feasible; quench reactive reagents cautiously and confirm product integrity by LC-MS/NMR.

These suggestions are general literature practices and not specifications for this item.

Safety and Handling

Safety specifics for this item are not provided in the listing and should be taken from the SDS for the shipped lot.

• GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.
• General lab PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Handle powders in a fume hood to avoid dust inhalation; avoid aerosol generation during DMSO stock preparation.
• Storage conditions: Store at -20 °C (per Product Data). Keep container tightly closed, protected from light and moisture. Allow vial to equilibrate to room temperature in a desiccator before opening to minimize condensation.
• Incompatibilities: Unknown for this item; as a precaution, segregate from strong oxidizers, strong acids/bases, and sources of ignition until specific incompatibilities are known from the SDS.
• First aid (overview; follow SDS): in case of skin contact, wash with soap and water; eye contact, rinse cautiously with water for several minutes; inhalation, move to fresh air; ingestion, rinse mouth and seek medical advice. Provide the SDS to medical personnel.
• Waste: Collect solutions and solids as organic chemical waste according to institutional and local regulations. Avoid drain disposal.
• Note: No information is available regarding photosensitivity, volatility, or reactive functional groups; handle as a generic research small molecule pending SDS review.

Solvent Selection

No solvent preferences are specified for MK-4541 in this listing.

General selection strategy for unknown small molecules (practice-based guidance):

• Primary stock solvent: anhydrous DMSO is the most common due to broad solvency and compatibility with microplate assays. Dry DMF or MeOH can be alternatives. Verify compatibility with your assay system.
• Back-dilution: prepare concentrated DMSO stock (e.g., 10–50 mM, if soluble), then dilute into buffer or media, keeping final DMSO typically ≤0.1–0.5% v/v to minimize vehicle effects (general guidance; optimize per assay).
• Aqueous work: for poorly soluble compounds, include co-solvents (DMSO, ethanol) or use surfactants (e.g., 0.01–0.05% Tween 80 or Pluronic F-127) if your assay tolerates them.
• Analytical work: for LC-MS, use water/MeCN or water/MeOH with 0.1% formic acid or ammonium acetate as needed. If carryover or adsorption occurs, add small amounts of organic modifiers or switch to low-adsorption vials.

Quick comparison (general):

• DMSO: widest solvency, high boiling point, miscible with water; may affect cells above ~0.5–1%.
• DMF: good solvency; more toxic; less favored in bioassays.
• MeOH/EtOH: volatile, lower solvency for highly lipophilic chemotypes; often acceptable up to ~0.2–0.5% in many assays.

Always confirm solvent choice with preliminary solubility and stability checks (light, pH, temperature).

Storage and Reconstitution

• Storage (as supplied): Store at -20 °C (per Product Data). Keep tightly closed, dry, and protected from light. Shipment: Ice chest + ice pads.
• Stability: Not specified for this item; refer to CoA/Spec Sheet. In the absence of data, minimize freeze–thaw cycles and exposure to ambient humidity.

General reconstitution guidance for research small molecules (non-item-specific):

• Solids: allow vial to warm to room temperature in a desiccator before opening. Accurately weigh under low humidity. Dissolve initially in anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM if soluble). Record exact concentration.
• Solutions: if supplied in solution, verify solvent and concentration on the label/CoA before use.
• Aliquoting: dispense single-use aliquots in amber, low-bind vials or 96/384-well plates; flush headspace with inert gas if oxidation is a concern; store at -20 °C or -80 °C as appropriate.
• Thawing and use: thaw on ice or at room temperature; mix thoroughly. Inspect for precipitate or color change; if observed, re-dissolve by brief warming/sonication or prepare fresh stock.
• Aqueous dilution: add stock to buffer/media with vigorous mixing to avoid local supersaturation. Maintain consistent vehicle percentage across controls and treated samples.

All item-specific details (purity, excipients, exact solubility, and shelf-life) are Not specified for this item; refer to CoA/Spec Sheet.

Structure and Identity

Brief overview: MK-4541 is provided as a cataloged, research-use-only small molecule. Detailed structural identifiers are not supplied in this listing.

• SKU: M1440073
• Product name: MK-4541 (research compound)
• CAS: 796885-38-6
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChI / InChIKey: 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 note):

• The “MK-” prefix commonly denotes an internally coded research compound from Merck pipelines; however, no specific functional groups, ring systems, or stereochemical features are provided here.
• Without a furnished structure, do not assume ionizable groups, hydrogen-bond donors/acceptors, or lipophilicity. Verify identity against the item’s CoA/SDS prior to method development.

2D description (general):

• Not available for this listing. If you require structure-derived parameters (pKa, logP, polar surface area), request the structure or consult peer-reviewed literature for the exact CAS (literature values, if found, should be verified against the shipped lot).

Synthetic Utility

No structural information is provided for MK-4541; therefore, no specific synthetic transformations or reactivity can be recommended.

General considerations if derivatization is intended (non-item-specific guidance):

• Confirm exact structure (including stereochemistry, salt form, and protecting groups) via CoA and independent characterization (NMR, HRMS, IR). Trace impurities and regioisomers can complicate SAR.
• Map functional handles if present (amines, phenols, halides, carboxylates) for standard transformations: amide coupling, alkylation/arylation, cross-coupling, or heterocycle modifications.
• Assess stability to acid/base, oxidants/reductants, and light before planning steps involving strong reagents.
• Purification: adopt orthogonal methods (normal-phase, reverse-phase prep HPLC) to separate closely related analogs. Monitor for polymorph or solvate formation during isolation.

Without a disclosed structure, treat MK-4541 as a finished research tool rather than a building block.

Target Specificity

Not specified for this item; refer to CoA/Spec Sheet. No target, pathway, or binding profile is provided in the Product Data.

Notes:

• If you have an intended target based on external literature for CAS 796885-38-6, independently confirm identity, salt form, and assay conditions. Reproduce dose–response behavior with internal standards and orthogonal assays to validate specificity.
• Aladdin Scientific does not assign biological targets for this listing.

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 796885-38-6, the molecular formula is C22H31F3N2O3, and the molecular weight is 428.49 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.