등급 & 순도Moligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.≥98%
Moligand™, ≥98% Moligand™ 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.
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보관 및 배송
Store at -20°C Ice chest + Ice pads 출고. 정확한 사양은 로트별 COA를 확인하세요.
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품질 문서
SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.
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문헌적 근거
크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.
개요
Information
TM5441 TM5441 is an orally bioavailable inhibitor of plasminogen activator inhibitor-1 (PAI-1) with IC50 ranging between 9.7 μM and 60.3 μM. TM5441 induces intrinsic apoptosis in several human cancer cell lines.
TM5441 is an orally bioavailable inhibitor of plasminogen activator inhibitor-1 (PAI-1) with IC50 ranging between 9.7 μM and 60.3 μM. TM5441 induces intrinsic apoptosis in several human cancer cell lines.
This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
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리뷰
고객 리뷰
Application Protocols
Item-specific validated protocols are not provided for this SKU.
General guidance for bioactive small molecules (not item-specific)
Biochemical inhibition assay
Prepare a concentrated DMSO stock (e.g., 10–50 mM). Make serial dilutions in assay buffer to achieve a wide concentration range. Keep final DMSO constant across wells.
Include positive controls (known inhibitor where available) and negative controls (vehicle only). Measure enzyme activity with and without compound; fit dose–response curves to obtain apparent potency metrics.
Cell-based assays
Confirm cell line compatibility with vehicle. Titrate compound across log-scale concentrations; include viability readouts to distinguish on-target phenotypes from nonspecific toxicity.
For longer incubations, assess compound stability in media and adsorption to plastics; refresh dosing as needed.
Analytics and QC
Verify identity/purity of working stocks by LC-MS or UPLC when results are publication-critical. Track freeze–thaw cycles and storage time.
Please consult the lot-specific CoA and SDS, and adapt protocols to your assay platform and institutional SOPs.
Biological Roles
General literature context
TM5441 is widely reported as a small-molecule inhibitor of plasminogen activator inhibitor-1 (PAI-1), a serpin that regulates fibrinolysis by inhibiting tissue-type and urokinase-type plasminogen activators. Modulation of PAI-1 is used in research to interrogate pericellular proteolysis, extracellular matrix remodeling, and related signaling pathways.
Research applications (no clinical claims)
Biochemical studies: characterize PAI-1 activity, latency, and interactions with target proteases or cofactors; define kinetics and inhibitor mechanisms under defined conditions.
Cell-based systems: probe downstream effects of PAI-1 modulation on matrix turnover, cell migration, and adhesion dynamics in stromal or endothelial models, with careful attention to off-target assessment and dose–response behavior.
Systems biology: incorporate small-molecule perturbations into network models of protease–inhibitor cascades; validate with orthogonal readouts (proteomics, activity-based probes).
Experimental cautions
Verify target engagement using orthogonal assays (e.g., activity assays, binding studies) to confirm on-target effects and exclude general cytotoxicity or assay interference.
Ensure appropriate vehicle controls and include time-course designs to account for potential compound instability or adaptation effects.
Note
The above roles reflect general literature use of TM5441-class tools. This catalog entry does not provide item-specific biological data; consult primary literature and the item CoA/SDS before experimental use.
Buffer Applications
Not typically applicable. TM5441 is a bioactive small molecule and not a buffering agent. It does not define pH or ionic strength in solution.
Practical notes for assay buffers (general guidance)
Prepare TM5441 stocks in DMSO, then dilute into physiological buffers (e.g., PBS, HEPES) to the desired final concentration, keeping vehicle ≤0.1–0.5% v/v when possible.
If compound precipitation is observed on dilution, consider adding carrier proteins (e.g., 0.1% BSA) or a small amount of non-ionic surfactant and verify that these additives do not affect the readout.
Filter sterilize buffers when using in cell culture; confirm compound stability in the chosen buffer over the assay time course.
For all buffer-related choices, consult the specific protocol for your assay platform and validate with vehicle-matched controls.
Green Alternatives
Context
As a specialized bioactive tool compound, TM5441 does not have a direct “green alternative” in the sense of interchangeable reagents. Environmental considerations mainly arise from the choice of solvent and handling practices for stock solutions and assay dilutions.
Greener practice recommendations (general)
Prefer DMSO over chlorinated solvents for stock preparation; limit final assay vehicle to ≤0.1–0.5% v/v where feasible.
If ethanol is acceptable to the assay system, it may offer easier waste handling vs. high-boiling polar aprotics like DMF.
Minimize solvent volumes through preparation of higher-concentration mother stocks and accurate microdilution.
Use amber vials and low-headspace containers to extend solution life and reduce waste from repeated remake.
Trade-offs
DMSO is broadly compatible but has a high boiling point and can complicate waste segregation. Ethanol is greener but may limit solubility or biological tolerance.
Comparison (general)
DMSO: excellent solubility, ubiquitous in screening; higher persistence in waste streams.
Ethanol: greener profile, rapid evaporation; possible solubility limits and cellular tolerance constraints.
Bottom line
Optimize solvent systems for minimal environmental impact consistent with assay performance. No drop-in “green substitute” for TM5441 itself is available; focus on solvent choice and process efficiency.
Pharmaceutical Uses
This product is supplied strictly for research use only; no medical, diagnostic, or therapeutic applications are claimed or supported.
General context (non-clinical)
Compounds like TM5441 are used in discovery research settings for target validation and mechanism studies. They may appear in preclinical literature as chemical probes, but this catalog entry provides no pharmacopeial status, excipient role, or GMP manufacturing information.
Regulatory and formulation notes
No pharmacopoeial monograph is indicated for this item: Not specified for this item; refer to CoA/Spec Sheet.
If used in formulation research (e.g., in vitro delivery studies), characterize solubility, stability, and compatibility with excipients under non-clinical conditions and observe all institutional policies for investigational materials.
Important
Do not use in humans or animals for therapeutic purposes. For any regulated work, obtain all necessary approvals and verify specifications with the lot-specific CoA and SDS.
Physical Properties
Item-specific physical constants
Appearance: 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.
Literature/general guidance for bioactive screening compounds of this class
Many drug-like tool molecules (including TM5441 per literature) are typically supplied as solids and prepared as concentrated DMSO stocks (e.g., 10–50 mM) for cell-free or cell-based assays. Actual solubility and stability depend on the exact structure and should be verified experimentally.
If water solubility is limited, co-solvents such as ethanol or DMF may be used to create intermediate stocks before dilution into aqueous assay buffers containing carrier proteins (e.g., BSA) or non-ionic surfactants. Verify compatibility with the intended bioassay.
Important note
Do not treat the above as specifications. For regulated or quantitative work, rely on lot-specific CoA and SDS for verified physicochemical values and handling parameters.
Quality and Grades
Item-specific quality information
Grade/purity: Not specified for this item; refer to CoA/Spec Sheet.
How to interpret common grades (general guidance)
Research grade: suitable for discovery biology and exploratory experiments; may not include full pharmacopeial testing.
HPLC grade (solvents) / ≥98% purity (solids): typical for analytical and screening uses where low impurities are desired; UV/fluorescence background minimized for detection-based assays.
Bioactive screening compounds: often provided with identity confirmation (e.g., 1H NMR, LC-MS) and purity by HPLC/UPLC. Review chromatograms for primary peak area, impurity profile, and retention time.
Considerations for TM5441 procurement/use
Request the lot-specific CoA for this SKU (T413629) to confirm identity methods (NMR, MS), chromatographic purity, residual solvent levels, and water content if relevant.
If your application is sensitive to trace contaminants (e.g., mechanistic enzymology, high-content imaging), consider orthogonal confirmation (qNMR, HRMS) and small-scale preformulation checks (solubility, stability vs. light/air).
Stabilizers, metal limits, and UV-cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Reaction and Applications
Scope of use
This product is intended as a research tool compound. It is not typically employed as a reagent or solvent in synthetic organic transformations. Accordingly, classical reaction families (e.g., cross-coupling, Grignard) are not generally applicable.
Applications in research (literature/general)
TM5441 is reported in the scientific literature as a small-molecule modulator of the plasminogen activator inhibitor-1 (PAI-1) pathway, and is used in cell-free enzymology and cellular models to probe fibrinolysis-related biology and extracellular matrix turnover. Use cases include target validation, pathway mapping, and phenotypic screening.
Practical considerations
Prepare carefully titrated DMSO stocks and perform preliminary vehicle tolerance and dose–response experiments.
For biochemical assays, confirm activity using orthogonal readouts where possible to exclude assay interference or aggregation; include counter-screens (e.g., unrelated enzyme assays) to assess selectivity artifacts.
For cell-based studies, confirm compound stability in media (light, temperature, serum) and evaluate potential adsorption to plastics; low-binding plates and surfactants can mitigate losses.
Documentation
Always record lot number, stock concentration, solvent, and freeze–thaw history. For publication-grade data, include the CoA purity, analytical traces, and the exact dilution protocol to ensure reproducibility.
Reaction Conditions
Not applicable in the traditional synthetic sense. TM5441 is not intended as a reagent in chemical transformations.
Stock preparation: Dissolve in DMSO to 10–50 mM, vortex and, if necessary, sonicate briefly; filter 0.22 µm for sterile applications.
Biochemical assays: Typical working concentrations span nanomolar to low micromolar, determined empirically via dose–response. Maintain constant vehicle across conditions and include counter-screens.
Cell-based assays: Start with a broad dose range (e.g., 0.03–30 µM) and refine based on potency and cytotoxicity controls. Limit final DMSO to ≤0.1–0.5% v/v where possible.
Stability: Assess short-term stability at room temperature and 37°C in the relevant medium; use amberware to mitigate photodegradation if suspected.
Notes
The above ranges are general literature guidance for small-molecule tool compounds and are not specifications for this item. Determine final conditions empirically and document lot number, stock concentration, and dilution scheme.
Safety and Handling
Authoritative safety information for this specific item has not been provided. Always consult the product SDS before use.
Item-specific data from Product Data
GHS Classification: Not specified for this item; refer to SDS.
Signal word: Not specified for this item; refer to SDS.
H-statements: Not specified for this item; refer to SDS.
Pictograms: Not specified for this item; refer to SDS.
Storage: Store at −20°C.
Shipping: Ice chest + ice pads (cold chain).
General laboratory safety guidance (not item-specific)
Handle in a chemical fume hood; avoid inhalation, ingestion, and skin/eye contact. Wear appropriate PPE: lab coat, nitrile gloves, and safety glasses.
Avoid generating dust/aerosols. Use sealed containers for weighing and transfer.
Incompatibilities are structure-dependent; in absence of verified data, avoid strong oxidizers/reductants, strong acids/bases, and reactive metals. Segregate from foodstuffs and water-reactive chemicals.
First aid (overview; defer to SDS): rinse eyes/skin with water for ≥15 minutes upon contact; remove contaminated clothing; seek medical attention if irritation persists. If inhaled, move to fresh air. If swallowed, rinse mouth and seek medical attention.
Waste disposal
Dispose according to local regulations for organic laboratory chemicals. For assay solutions containing DMSO or other organic solvents, collect as hazardous waste; do not discharge to drains.
Solvent Selection
Context
TM5441 is used as a bioactive tool compound. For biological assays, solvent choice is driven by solubility, target compatibility, and vehicle tolerance of the biological system.
General guidance (literature/common practice; not item-specific)
Primary stock solvent: DMSO is the default for many small-molecule inhibitors due to broad solvating power and biochemical compatibility at low final percentages (typically ≤0.1–0.5% v/v in assays).
Alternative co-solvents: DMF or ethanol can assist dissolution; filter sterilize and verify assay tolerance. For aqueous delivery, pre-dissolve in DMSO then dilute into buffer.
Aqueous buffers: Use physiological buffers (e.g., PBS, HEPES) containing 0.01–0.1% non-ionic surfactant or carrier protein when needed to mitigate precipitation or adsorption.
Polarity/miscibility profile (general)
DMSO: polar aprotic, completely miscible with water and many organics; high boiling point; commonly used at low final % in bioassays.
Ethanol: protic, volatile, fully water-miscible; more limited compatibility with some cell systems vs. DMSO.
Practical tips
Prepare concentrated mother stocks (e.g., 10–50 mM) to minimize vehicle in assays. Confirm solubility visually and by analytical check (HPLC/UPLC).
Include matched vehicle controls and verify compound stability in the chosen solvent at storage and assay temperatures.
Finalize solvent choice after consulting the lot-specific CoA and conducting a quick stability/solubility screen.
Storage and Reconstitution
Item-specific storage and shipping
Storage condition: Store at −20°C (from Product Data).
General guidance for small-molecule bioactives (not item-specific)
Protect from moisture and light. Store as a dry solid in a tightly sealed, inert container with desiccant. Allow vials to equilibrate to room temperature before opening to minimize condensation.
Reconstitution: Prepare concentrated stocks in anhydrous DMSO (commonly 10–50 mM). If sterile solutions are required, pass through a 0.22 µm PTFE syringe filter. Record final concentration and solvent.
Aliquoting: Divide stock into single-use aliquots to avoid repeated freeze–thaw. Store aliquots at −20°C to −80°C in amber vials.
Stability checks: Periodically confirm integrity by HPLC/UPLC and mass spectrometry, especially after >6 months or multiple freeze–thaw events.
Working solutions: Prepare fresh on the day of use when feasible. Avoid prolonged exposure at room temperature or 37°C unless stability has been verified.
Notes
Appearance, solubility limits, and precise stability are not specified for this item; consult the lot-specific CoA. Always defer to the SDS for handling precautions and incompatibilities.
Structure and Identity
Brief overview: TM5441 is widely cited in the literature as a small-molecule tool compound used in biochemical research, commonly associated with modulation of serine protease inhibitor pathways (notably PAI-1) (literature). Item-specific identifiers below reflect only what is provided for this catalog entry.
Item-specific (from Product Data)
Product name: TM5441
SKU: T413629
CAS: 1190221-43-2
PubChem CID: 44250349
InChIKey: Not specified for this item; refer to CoA/Spec Sheet. (Product data shows “24058,” which is not a complete InChIKey.)
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 (general/literature)
TM5441 is reported in the literature as an aromatic, heteroatom-containing small molecule. The detailed functional groups, ring topology, and stereochemical elements should be confirmed against the primary reference or the CoA for this specific lot.
2D structure description (general guidance)
In absence of an authenticated structure drawing in the product data, consult PubChem CID 44250349 or the item CoA to verify ring systems, heteroatoms, and any substituent pattern. Do not use secondary sources for regulated work without confirming with the supplied CoA/SDS for this item.
Synthetic Utility
Not typically applicable. TM5441 is purchased as a finished bioactive small molecule and is not commonly employed as a synthetic reagent, catalyst, or building block in routine organic synthesis.
General considerations (if derivatization is contemplated)
Researchers sometimes derivatize tool compounds to create analytical tracers (e.g., biotinylated or fluorescent analogs) or immobilized ligands for target pull-down. Such work requires confirmed structural information, which is not provided in this listing—consult the primary literature and CoA for exact functional groups and reactive handles.
If structure is confirmed, standard synthetic tactics (amide coupling, selective halogen displacement, click chemistry) may be applicable depending on available functional groups.
Recommendation
For synthetic campaigns or SAR studies, acquire authenticated structural data and purity metrics (NMR, HRMS, HPLC) for this specific lot. Without verified structure and reactivity, synthetic utility cannot be responsibly specified.
Target Specificity
Item-specific target data
Target, selectivity profile, and binding parameters: Not specified for this item; refer to CoA/Spec Sheet and primary literature.
General literature context
TM5441 is reported as a small-molecule modulator of PAI-1 activity. Selectivity over related serpins and potential off-targets should be established experimentally for each lot and assay system.
Best practices
Use orthogonal assays (activity-based and binding-based) to confirm on-target effects.
Include panel screening where feasible to detect off-target interactions.
Report exact assay conditions, vehicle, and concentration ranges to enable reproducibility.
Disclaimer
No item-specific potency (IC50/Ki), kinetics, or selectivity data are provided in this catalog entry. Do not assume literature values apply to this particular lot without verification.
자주 묻는 질문
What is the purity of this product?
This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
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 1190221-43-2, the molecular formula is C21H17ClN2O6, and the molecular weight is 428.82 g/mol. InChIKey BGGMLMAPVODXAU-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.
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당사의 등급 선택 가이드는 카탈로그의 모든 변형 제품에 대해 순도, 안정제 상태 및 용도 적합성을 다룹니다.
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
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