TML-6, an orally active curcumin derivative, inhibits the synthesis of the β-amyloid precursor protein and β-amyloid (Aβ) . TML-6 can upregulate Apo E, suppress NF-κB and mTOR , and increase the activity of the anti-oxidative Nrf2 gene. TML-6 has the potential for Alzheimer’s disease (AD) research
In Vitro
TML-6 (0.65-5.24 µg/mL; for 24 h) reduces the protein expression levels of APP and phospho-NF-κB, and induces the protein expression level of ApoE. TML-6 inhibits the mTOR signaling pathway through the suppression of phospho-mTOR. TML-6 (0.31, 0.63, 2.5, 5, 10, 20 μM; 24 h) reveals no cytotoxicity in Huh-7 cells at concentrations below 5 μM and has an IC 50 of 4.19 µg/mL (8 μM). TML-6 (1.05, 2.09, 3.14, 4.19 μg/mL; 24 h) reduces the production of Aβ40 and Aβ42 between 1.05, 2.09 and 3.14 μg/mL (equal to 2, 4 and 6 μM) in a dose-dependent manner in N2a/APPswe cell. TML-6 can exhibit transcriptional activation of the Nrf2 gene in a dose-dependent manner, with the highest activity at a concentration of 1.32 µg/mL. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: Huh-7 cells Concentration: 0.65, 1.31, 1.96, 2.61, 3.93, 5.24 µg/mL Incubation Time: For 24 hours Result: Reduced the amyloid precursor protein (APP) protein expression level by 60% and decreased the level of phosphorylated NF-κB by about 50% at a dose of 1.96 µg/mL after 24 h treatment. Induced the protein expression level of ApoE by approximately 44% at a dose of 2.62 µg/mL.
In Vivo
TML-6 (diet; 150 mg/kg/day; for four months) treatment results in significant improvement in learning, suppression of the microglial activation marker Iba-1, and reduction in Aβ in the brain . TML-6 (oral; 150 mg/kg) has a T 1/2 of 1.27 hours, a C max of 35.9 ng/mL and an AUC of 177 ng•hr/mL . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Six-month-old 3xTg (mutations: APP KM670/671NL , MAPT P301L and PSEN1 M146V ) AD transgenic mice Dosage: 150 mg/kg Administration: Diet; daily; for four months Result: Improved the learning behaviors, significantly suppressed the Aβ levels and Iba-1 expression in the brain of 3xTg AD transgenic mice. Animal Model: SD rats Dosage: 150 mg/kg (Pharmacokinetic Analysis) Administration: Oral Result: Had a T 1/2 of 1.27 hours, a C max of 35.9 ng/mL and an AUC of 177 ng•hr/mL.
Form:Solid
IC50& Target:NF-κB mTOR
Spezifikationen
Spezifikationen & Reinheit
≥99%
Biochemische und physiologische Mechanismen
TML-6, an orally active curcumin derivative, inhibits the synthesis of the β-amyloid precursor protein and β-amyloid (Aβ) . TML-6 can upregulate Apo E, suppress NF-κB and mTOR , and increase the activity of the anti-oxidative Nrf2 gene. TML-6 has the pote
Storage
Store at 2-8°C
Verschickt in
Wet ice
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This compound belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group.
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.
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
Löslichkeit
DMSO : 120 mg/mL (229.17 mM; Need ultrasonic)
Lösungsrechner
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Dilution Calculator
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Reconstitution Calculator
Bewertungen
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Application Protocols
No tested application protocols (e.g., WB, IHC, IF, FC, enzymatic assay conditions) are provided for TML-6 in the Product Data.
General protocol framework for small-molecule assay deployment:
Stock solution: prepare at 10 mM in DMSO; verify clarity and absence of particulates. Store in aliquots to avoid repeated freeze–thaw.
Plate setup: perform serial dilutions (1:3 or 1:2) to generate 8–10 concentration points; include solvent-only controls at matched DMSO percentages.
Incubation: typical biochemical assays run 15–60 min at room temperature; cellular assays 1–48 h depending on endpoint. Optimize per target.
Readout: choose appropriate detection modality (fluorescence, luminescence, absorbance, MS). Assess interference (auto-fluorescence, quenching) by spectral scans and detergent controls when relevant.
Data analysis: fit to a 4-parameter logistic model; report potency with 95% confidence intervals, and include replicate statistics.
For any validated, item-specific protocol, refer to the CoA/Spec Sheet or contact technical support.
Biological Roles
No specific biological role, target, or pathway annotation is provided for TML-6 in the Product Data. Therefore, any functional interpretation should be based on your experimental results or literature associated with CAS 1462868-88-7.
General guidance for characterizing biological roles of an unannotated small molecule:
In vitro profiling:
Screen across a broad enzyme/receptor panel or pathway-focused assays to surface primary and off-target activities.
Conduct cytotoxicity baselines (e.g., ATP content, resazurin, LDH release) in relevant cell lines to define non-toxic working ranges.
Mechanistic follow-up:
Use thermal shift assays (CETSA/DSF) or chemoproteomics to identify putative binding partners.
Apply transcriptomics/proteomics to uncover pathway signatures and infer mechanism of action.
ADME-relevant properties:
Determine microsomal stability, plasma protein binding, and permeability (PAMPA/MDCK/Caco-2) to contextualize cellular potency shifts.
Selectivity and liability checks:
Counterscreen against common assay interference mechanisms (redox cycling, aggregation, fluorescence quenching/auto-fluorescence using excitation/emission scans, detergent-sensitive inhibition).
Because no pharmacological claims or targets are specified, report findings with appropriate controls and replicate verification. All uses are for research only; do not infer therapeutic utility from screening data alone.
Buffer Applications
TML-6 is a small-molecule library member and not a buffering reagent. As such, it is not typically used to prepare or maintain pH in biochemical systems.
Practical notes for buffer use with small-molecule testing (general):
Choose assay buffers based on biological target requirements (e.g., HEPES pH 7.4 for many enzyme assays; Tris pH 7.5–8.0 for kinases), and validate compound stability across the pH range.
Maintain consistent co-solvent levels (e.g., 0.1–1% DMSO) across all wells, including controls, to avoid solvent-driven effects.
If precipitation is suspected upon dilution into buffer, include a small amount of compatible organic co-solvent (ethanol or acetonitrile) and add a nonionic surfactant at 0.01–0.05% as allowed by the assay.
For exact buffering recipes, ionic strengths, and pH ranges, refer to your assay’s standard operating procedures. There are no item-specific buffer system recommendations for this product.
Green Alternatives
In the absence of item-specific solvent or process requirements for TML-6, greener practices can still be integrated into screening and analytical workflows.
Greener solvent choices for formulation (general):
Prefer ethanol or isopropanol co-solvent systems over acetonitrile/DMF/NMP where assay tolerance and solubility allow.
For HPLC, consider water-rich gradients and ethanol as an alternative organic phase when compatible with detectors and backpressure limits.
Micro-scale efficiency:
Use miniaturized assays (384/1536-well) to reduce solvent usage and waste per data point.
Employ acoustic dispensing or positive-displacement picoliter tools to minimize DMSO consumption and plastics.
Waste reduction:
Consolidate LC methods to a single universal gradient per campaign to cut method development solvent waste.
Implement on-plate serial dilutions to reduce intermediate tube usage.
Comparison table (general; not item-specific)
| Option | Benefit | Tradeoff |
|---|---|---|
| Ethanol vs ACN (HPLC) | Renewable, lower toxicity | Higher viscosity; longer run times |
| EtOH/Buffer co-solvent | Greener than DMF/NMP | Lower solubility for highly lipophilic compounds |
| 96→384-well scaling | Cuts solvent per well ~4x | Requires compatible instrumentation |
Adopt greener choices only after confirming compound solubility, assay performance, and detector compatibility.
Pharmaceutical Uses
No excipient role, pharmacopeial status, or formulation use is specified for TML-6. This product is supplied strictly for research use only and is not intended for human or veterinary use, diagnostics, or clinical applications.
General context (not item-specific):
Small-molecule screening compounds are sometimes transitioned into preformulation studies once robust biological activity and safety margins are established; however, such work requires defined polymorph, salt form, and impurity profiles, which are not provided here.
If formulation exploration is necessary for advanced research models, consider:
Solubilization via co-solvents (e.g., DMSO/PEG400/saline) or lipid-based systems for nonclinical investigations.
Determination of salt forms to optimize solubility and stability (needs structure and pKa data).
Without item-specific pharmaceutical information, do not employ this product in any clinical or GMP-related workflows.
Physical Properties
Item-specific values (from Product Data)
Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
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.
LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
Aqueous solubility: Not specified for this item; refer to CoA/Spec Sheet.
General/literature-based guidance for small-molecule library members (not item-specific)
If the compound is provided as a solid, many drug-like solids dissolve in DMSO to 10–50 mM for screening stocks (literature/general). Actual solubility should be experimentally confirmed.
Hygroscopic or amorphous materials may show broad or undefined melting events; use DSC/TGA if a precise transition is needed (general guidance).
A first-pass solubility screen can be conducted with DMSO, DMF, ethanol, and PBS (co-solvent titration) to establish workable stock conditions (general guidance).
Analytical characterization recommendations
Use RP-UPLC with a gradient water (0.1% formic acid) / acetonitrile (0.1% formic acid), PDA 210–400 nm, and ESI± MS to assess purity and detect nonchromophoric impurities.
If crystallinity and polymorph matter for your application, consider PXRD.
Note: For any numerical property needed in regulated documentation or modeling inputs, rely on the lot-specific CoA/Spec Sheet.
Quality and Grades
Grade/Purity (item-specific)
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
What to expect in the CoA for a compound library member (general guidance)
Assay/purity by HPLC or UPLC (often UV at multiple wavelengths, with or without ELSD).
Identity confirmation by MS and, when available, 1H NMR.
Water content by Karl Fischer may be reported for hygroscopic solids or DMSO solutions.
Residual solvents (GC) and inorganic residue (ash) may be provided depending on synthesis route.
Interpreting common grades (general)
“Screening grade” or “Discovery grade”: typically adequate for biochemical/cellular assays; UV cleanliness may vary versus HPLC/LC–MS grades.
“HPLC grade” refers to solvents; for solids, “>95%” or “>98%” purity thresholds are common descriptors. Verify the threshold in the CoA.
Stabilizers and form
Stabilizer/additive: Not specified for this item; refer to CoA/Spec Sheet.
Physical form (solid vs solution) and counterion/salt form: Not specified for this item; refer to CoA/Spec Sheet.
For quantitative SAR or in vivo enabling studies, request a detailed impurity profile and confirm salt/free-base form to ensure lot-to-lot reproducibility.
Reaction and Applications
This product is supplied as a small-molecule library member rather than a synthetic reagent; thus, its primary value lies in discovery workflows rather than as a stoichiometric building block.
Typical research applications (general):
Target-based screening: evaluate activity across enzymatic or receptor assays using DMSO stocks and serial dilutions.
Phenotypic screening: cell-based assays to observe pathway modulation, morphology, or reporter readouts.
Profiling: ADME panels (metabolic stability, permeability, protein binding) and selectivity counterscreens.
Practical tips:
Prepare concentrated stocks (e.g., 10 mM in DMSO). Use low-bind polypropylene tubes and assay plates to reduce nonspecific adsorption.
Include solvent controls matched to the highest DMSO percentage. Validate that the final solvent content does not confound assay endpoints.
If the compound has limited solubility, consider gentle heating (≤40°C) and sonication for stock preparation; filter through 0.2 µm PTFE if particulates persist.
Data integrity:
Run dose–response with at least 8–10 points, duplicate or triplicate wells, to mitigate edge effects and plate artifacts.
Confirm hits by orthogonal assay modalities (biochemical vs cellular) and by fresh weighing/re-formulation of a new vial/lot when available.
Downstream use:
If structure becomes available, perform substructure and fingerprint similarity searches to contextualize SAR and potential mechanism-of-action hypotheses.
Note: No manufacturer-specified biological or chemical application is provided; the above reflects general best practices for small-molecule screening.
Reaction Conditions
This product is not supplied for use as a reagent in chemical reactions, and no item-specific reaction conditions are provided.
General guidance if you plan to handle or analyze the compound in solution-phase workflows:
Stock preparation: Dissolve in DMSO at an initial target of 10 mM; adjust concentration based on observed solubility. Warm gently (≤40°C) and sonicate if necessary. Avoid prolonged heating.
Dilution into aqueous media: Add stock slowly into vigorously mixed buffer to minimize local supersaturation. Consider co-solvent levels of 0.1–1% organic and a nonionic surfactant at 0.01–0.05% if precipitation occurs (assay-permitting).
Stability checks: Run short-term stability at room temperature and at 2–8°C by LC–MS after 24–72 h to detect degradation. Evaluate freeze–thaw stability (3–5 cycles) if aliquoting is not possible.
Analytical conditions (general): RP-UPLC with water/acetonitrile + 0.1% formic acid is broadly applicable; PDA at 210–400 nm plus ESI± MS provides orthogonal confirmation. If the compound lacks chromophores, add ELSD or CAD.
Because functional groups and reactivity are not disclosed, do not assume compatibility with strong acids/bases, oxidants, or reductants. Perform small-scale tests if chemical transformations are attempted.
Safety and Handling
GHS and hazard information (item-specific)
Signal word: Not specified for this item; refer to SDS.
Hazard statements (H-phrases): Not specified for this item; refer to SDS.
GHS classification: Not specified for this item; refer to SDS.
Pictograms: Not specified for this item; refer to SDS.
Storage conditions (item-specific)
Store at 2–8°C (Product Data).
Shipped on wet ice (Product Data). Allow package to equilibrate to room temperature before opening to minimize condensation, then return to 2–8°C.
General laboratory precautions (not item-specific; follow SDS)
Handle in a chemical fume hood; avoid inhalation and skin/eye contact.
PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Upgrade PPE if using larger quantities or aerosols.
Avoid incompatible reagents until compatibility is known; keep away from strong oxidizers, strong acids/bases, and ignition sources as a precaution.
Use clean, dry tools. If the material is moisture-sensitive (unknown), minimize atmospheric exposure and recap promptly.
First-aid overview (general)
Inhalation: move to fresh air; seek medical attention if symptoms persist.
Skin/eyes: rinse with water for 15 minutes; remove contaminated clothing; seek medical advice.
Ingestion: rinse mouth; do not induce vomiting; seek medical attention.
Always consult the product-specific SDS for authoritative hazard, exposure limits, spill response, and disposal guidance.
Solvent Selection
Because structural and solubility parameters for TML-6 are not specified, solvent selection should follow robust, stepwise screening to establish reliable working stocks.
Primary stock solvent (general best practice):
DMSO is the default for small-molecule screening. Start at 10 mM; adjust based on observed solubility and assay tolerance to DMSO (typically ≤0.5–1% v/v in assay).
Secondary solvents/co-solvents:
DMF or NMP for particularly nonpolar or hydrogen-bonding compounds (use sparingly in biological assays due to toxicity).
Ethanol or isopropanol for mixed aqueous systems; often compatible up to 1–2% in many biochemical assays.
Acetonitrile for LC compatibility; can assist with plate-based dispensing.
Aqueous systems:
Use buffer with 0.01–0.05% nonionic surfactant (e.g., Tween 20) to mitigate adsorption losses for hydrophobic compounds; confirm assay compatibility.
Titration strategy:
Begin with DMSO stock, dilute into assay buffer with vigorous mixing (plate shaker or pipette mixing) to avoid precipitation.
If precipitation occurs, introduce a co-solvent gradient (0–20% ACN or EtOH) in a small pilot to map solubility limits.
Analytical checks:
Inspect for turbidity (A600), and confirm concentration by UV or LC–MS where chromophore is unknown.
Comparison note (general): DMSO offers broad solubilizing power and chemical stability; ethanol is greener but less universal; ACN provides LC compatibility with lower viscosity.
Storage and Reconstitution
Item-specific storage and shipping
Storage: 2–8°C (Product Data). Maintain container tightly closed. If moisture sensitivity is suspected, store with desiccant inside a sealed secondary container.
Shipping: Wet ice (Product Data). Inspect upon arrival; if warmed, return to 2–8°C as soon as practical.
General reconstitution guidance (not item-specific)
Solids: Bring vial to room temperature in a desiccated environment before opening. Weigh quickly to minimize moisture uptake. Dissolve initially in DMSO to prepare a concentrated stock (e.g., 10 mM), then dilute into assay media as needed.
Solutions: If supplied pre-dissolved, verify the solvent system and concentration on the CoA/label. Store as directed; avoid microbial contamination.
Aliquoting: Prepare single-use aliquots to avoid repeated freeze–thaw and headspace moisture ingress. Label aliquots with concentration, solvent, lot, and date.
Stability monitoring
Periodically assess integrity by LC–MS/HPLC. Look for new peaks indicating degradation or precipitation in storage.
Protect from light if chromophore content is unknown as a precaution (wrap in foil or use amber vials).
Any missing specifics (e.g., exact solubility, pH sensitivity, shelf life) are not specified for this item; refer to the lot-specific CoA/Spec Sheet and SDS for definitive guidance.
Structure and Identity
Overview
Product name: TML-6 (SKU: T646596)
Catalog category: Small molecule compound library member
CAS: 1462868-88-7 (Product Data)
PubChem CID: 72705569 (Product Data)
InChIKey: 371218 (Product Data; note: format appears abbreviated relative to typical 27-character InChIKeys)
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 (descriptive)
Detailed 2D/3D structure, ring systems, functional groups, and stereochemistry are not specified in the provided Product Data. If structural confirmation is required for your application (e.g., SAR, docking, or analytical reference), please consult the CoA/Spec Sheet or primary literature associated with CAS 1462868-88-7.
Verify identity upon receipt using one or more orthogonal methods:
High-resolution MS to confirm exact mass and isotope pattern.
1H/13C NMR for core scaffold and impurity assessment.
HPLC/UPLC purity profile and retention time match against supplier reference.
If an InChIKey/SMILES becomes available, cross-check with external databases (e.g., PubChem CID 72705569).
Traceability
Retain the product lot number on the CoA for downstream reporting.
For structure-based work (modeling, docking, chemoinformatics), request structure fields (SMILES/SDF) from the supplier prior to campaign initiation.
Synthetic Utility
TML-6 is offered as a small-molecule library member, not as a synthetic reagent or building block. Without disclosed functional groups, reactivity, or scaffold information, it is not possible to outline item-specific transformations or named-reaction participation.
General notes for users considering derivatization (if structure becomes available):
If the scaffold contains common handles (e.g., aryl halide, nitrile, aniline, alcohol), numerous diversification pathways exist (Suzuki–Miyaura, Buchwald–Hartwig, reductive amination, ester/amide interconversions). Such routes require confirmed structure and protecting-group strategy.
Prior to derivatization, confirm the exact salt/free-base form, purity, and residual solvent content, as they can alter yields and reaction outcomes.
For SAR expansion, plan parallel synthesis using micro-scale conditions and LC–MS monitoring to rapidly explore substitution patterns.
At present, no synthetic utility can be claimed for this item beyond its use as a test article in discovery assays. Consult the CoA/Spec Sheet or supplier for structural details if chemical modification is intended.
Target Specificity
No target, pathway, or selectivity information is provided for TML-6 in the Product Data. There are no claims of activity against any specific protein, receptor, enzyme, or organism.
If determining target specificity is part of your project, consider the following general approach:
Primary screens: broad enzyme/receptor panels or phenotypic assays to detect activity.
Deconvolution: use chemoproteomics, CETSA, CRISPR knockouts/knockdowns, or thermal profiling to associate activity with targets.
Selectivity: counterscreen against related family members and common off-targets to quantify selectivity windows.
All findings should be validated by orthogonal methods and replicated across independent lots when possible. No item-specific specificity data are available.
Häufig gestellte Fragen
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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