MLT-943 - 10mM in DMSO , CAS No.1832576-04-1

CAS: 1832576-04-1 Cat. No.: M655407 Fórmula: C₁₆H₁₄ClF₃N₆O₂ Peso molecular: 414.77 PubChem CID: 118540057

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

MLT-943 is a potent, selective and orally active MALT1 protease inhibitor. MLT-943 inhibits stimulated-IL-2 secretion in PBMC or in whole blood with a similar IC 50 across species (0.07-0.09 μM in PBMC, 0.6-0.8 μM in whole blood). MLT-943 has anti-inflammatory activities and can be used for FcgR-mediated inflammation research.

In Vitro

MLT-943 shows a high potency and selectivity in vitro.?MLT-943 inhibits stimulated IL-2 secretion in PBMC or in whole blood with a similar IC 50 across species (0.07-0.09 μM in PBMC, 0.6-0.8 μM in whole blood). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

MLT-943 (oral gavage; 10 mg/kg; QD) prophylactic treatment in the rat collagen-induced arthritis model suppresses anti-collagen antibody production, fully prevents paw swelling, and normalizes joint histology scores?in rat model . MLT-943 (oral gavage; 5 mg/kg; QD; 10 consecutive days) effectively inhibits MALT1 protease activity and results in a progressive reduction in the frequency of Foxp 3+ CD25 + ?Treg cells in circulating CD4 + ?T cells, which was maximal after 7 days of treatment. And Discontinuation of MLT-943 treatment after day 10 leads to Treg frequency progressively returning to their original values within 4 days. Suboptimal doses of MLT-943 (0.1 and 0.5 mg/kg QD; p.o.) does not impact the Treg frequency . MLT-943 (oral gavage; 0, 5, 20 or 80 mg/kg/day; 4-13 weeks) causes a reduction in Treg and an increase in total T cell counts, in both 4- and 13-week rat toxicity studies at all dose levels. While a 4-Longer treatment induces severe immune-mediated pathology in multiple organs, with clinical onset starting around week 9 in rat . MLT-943 (p.o. admistration; 3 mg/kg; single dose) exhibits a good PK parameters in vivo . The C max values are 0.7 nM and 0.5 nM, respectively in rat and mice, respectively. And the F% are 86% and 50% in rat and mice, respective . For i.v. admistration the compound is formed in NMP:PEG200 (30/70); For p.o. admistration solution is formed in MC:Tween 80:Water (0.5:0.5:99) solution (Sourced from literature, for reference only) . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Naïve rats Dosage: 5 mg/kg Administration: Oral gavage; 5 mg/kg, 10 consecutive days or 0.1 mg/kg MLT-943 Result: Induced a severe immune-mediated pathology after a prolonged treatment

Specifications

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

MLT-943 is a potent, selective and orally active MALT1 protease inhibitor.xa0MLT-943 inhibits stimulated-IL-2 secretion in PBMC or in whole blood with a similar IC 50 across species (0.07-0.09 μM in PBMC, 0.6-0.8 μM in whole blood). MLT-943 has anti-infla

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nomes e identificadores

• SMILES isoméricas: C[C@@H](C1=C(C=NC2=CC(=NN21)Cl)NC(=O)NC3=CC(=NC=C3)C(F)(F)F)OC
• PubChem CID: 118540057
• Peso molecular: 414.77

Alvos associados (humanos)

MALT1 Tchem Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (3 Activities)

Discover Target: MALT1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Application Protocols

No validated or tested application protocols are provided for this item in the product data.

General starting points (not item-specific):

• Stock preparation: Dissolve in anhydrous DMSO to 10–50 mM; vortex and, if needed, sonicate briefly. Filter through 0.22 μm PTFE if particulates persist.
• Biochemical assays: Titrate final DMSO to ≤1–2% v/v. Preincubate compound with enzyme/protein as appropriate and include vehicle controls.
• Cell-based assays: Typical dosing ranges from 0.01–30 μM across 8–10 points. Maintain final DMSO at ≤0.1–0.5% v/v unless the cell line tolerates more. Monitor cell health and precipitation.
• Storage of working plates: Seal to prevent evaporation; store at −20°C for short periods if stability allows. Avoid repeated warming.

Please consult the CoA/Spec Sheet or literature for any target-specific protocols once the mechanism of action is established.

Biological Roles

Item-specific biological targets, pathways, and mechanisms of action are not provided for MLT-943 in the current data set.

General notes for small-molecule research tools (not item-specific):

• Tool compounds can modulate enzymes, receptors, transporters, or protein–protein interactions, enabling hypothesis testing in biochemical/cellular models.
• Interpreting phenotypes requires knowledge of on-target potency, selectivity versus close homologs, cellular permeability, and efflux liability.
• Off-target profiling (e.g., broad kinase panels, safety counterscreens) is often essential to ensure observed effects are mechanism-driven.
• Physicochemical properties (pKa, logD, TPSA) influence cell penetration, subcellular localization, and nonspecific binding; obtain structure to model these parameters.

Actionable guidance:

• Request or locate the primary literature associated with CID 118540057 to identify any reported biological roles.
• If novel/undocumented, consider unbiased phenotypic screens followed by target deconvolution (chemoproteomics, CRISPR modifier screens) to elucidate mechanism.

Research use note:

• For research use only. Not for human or veterinary applications.

Buffer Applications

This item is a small-molecule research compound and is not a buffering agent. Therefore, buffer formulation guidance is generally not applicable.

Practical notes (general, not item-specific):

• When dosing into buffered biological media, maintain low final organic solvent content (commonly ≤0.1–1% DMSO or ethanol) to preserve assay performance.
• Verify compound stability in the chosen buffer (pH, ionic strength, presence of nucleophiles or metals) via LC–MS over the assay time course.
• If precipitation occurs upon dilution from DMSO into buffer, increase mixing time, add a gentle co-solvent (e.g., 0.5–1% ethanol), or adjust pH if chemically appropriate.

Green Alternatives

Because MLT-943 is a small-molecule research tool rather than a solvent or bulk reagent, "green alternative" considerations primarily concern choice of formulation solvent and handling rather than substituting the compound itself.

General greener-practice suggestions (not item-specific):

• Prefer DMSO over DMF/NMP for stock solutions when assay-compatible, due to lower toxicity and better waste profiles.
• Use aqueous co-solvent systems with minimal organic content (≤1–2% v/v DMSO or ethanol) when compound solubility and stability permit.
• Minimize single-use plasticware by consolidating aliquots and employing recyclable glass vials where feasible.
• Scale down screening volumes using miniaturized plate formats (384–1536 well) to reduce solvent and compound consumption.
• Implement closed-cap, low-evaporation plates to limit VOC emissions when ethanol or isopropanol are used.

Illustrative comparison (general):

• DMF/NMP: Strong solvency but higher EHS concerns; avoid for cell work when possible.
• Ethanol/IPA: Renewable feedstocks available; volatility may complicate dosing accuracy.
• DMSO: Widely accepted in screening; manageable EHS profile; keep exposure low.

Waste management:

• Segregate halogenated from non-halogenated organic waste streams when other reagents are involved.
• Neutralize and aqueous-wash glassware to minimize organic solvent volumes.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation usage is provided for MLT-943, and this product is supplied strictly for research use only.

General remarks (not item-specific):

• Tool compounds may be used in preclinical research workflows (target validation, PK/PD exploration) but are not approved drug substances or excipients.
• If formulation studies are undertaken for research animals, prioritize simple vehicles with established tolerability (e.g., 10–20% Captisol, PEG400/saline mixtures, or 0.5% methylcellulose + 0.1% Tween 80) and confirm compound stability; ensure compliance with institutional guidelines.
• No therapeutic or clinical claims are made or implied for this product.

Physical Properties

Item-specific physicochemical data are not provided in the current listing.

• 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.
• 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 (solid vs liquid not provided).

General chemistry notes (not item-specific):

• Many screening compounds are supplied as solids and are readily dissolved in DMSO to make 10–50 mM stocks for biochemical/cell assays. Always verify actual solubility experimentally.
• If the structure contains ionizable groups, aqueous solubility can often be adjusted with minimal acid/base (e.g., 0.1% HCl or NaOH), but only after confirming compound stability.
• Hygroscopicity, polymorphism, and solvates can influence handling and assay performance; consult CoA/SDS for any such flags.

Action items:

• Request CoA/Spec Sheet for definitive physical constants and recommended solvent system.
• Perform a small-scale solubility screen (water, PBS, DMSO, DMF, ethanol) to define working concentrations without precipitation.

Quality and Grades

Item-specific grade, purity, and stabilizers are not listed.

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

General guidance (not item-specific):

• Screening compounds are commonly supplied at ≥95% purity by HPLC/UPLC with MS and 1H NMR identification; verify on the CoA. For biochemical assays, higher purity (≥98%) can reduce background and off-target effects.
• If provided as a salt (e.g., TFA, HCl), note that counter-ions can affect mass balance, solubility, and pH in aqueous buffers. The free base/acid content (assay) may be reported separately from salt mass.
• Low-residual-solvent specifications and absence of reactive impurities (e.g., peroxides, metals) are typically desirable for sensitive assays; consult the CoA. Do not assume values in the absence of documentation.
• Batch-to-batch consistency: Use the lot-specific CoA, and consider qualifying a batch for critical screening campaigns (orthogonal purity checks, identity confirmation, and potency benchmarking).

Documentation:

• Request: CoA, Spec Sheet, and, if needed, an Analytical Package (chromatogram, MS/NMR).

Reaction and Applications

This product is categorized as a small-molecule research compound rather than a synthetic reagent. Item-specific functional reactivity and target class are not provided.

What is typically applicable (general, not item-specific):

• Use as a reference tool compound in biochemical or cell-based assays once the target/mechanism is known from literature/CoA.
• Potential inclusion in screening libraries for phenotypic or target-based discovery workflows, HTS, or SAR-by-catalog efforts.
• Analytical applications: Can serve as a standard for LC–MS method development and retention-time locking after identity is confirmed.

Less applicable here:

• Named organic reactions and stoichiometric use in synthesis are generally not relevant unless the structure is disclosed and features synthetic handles.

Practical tips (general):

• Confirm identity and purity before biological testing (HPLC-UV/ELSD, HRMS; optional 1H NMR if quantity permits).
• Establish a stability profile in DMSO at freezer (−20 to −80°C) and working (4–25°C) temperatures to avoid potency drift during screening.
• If the target class becomes known (e.g., kinase inhibitor, epigenetic modulator), align assay conditions (ATP, cofactors, chromatin state) to the mechanistic requirements.

Reaction Conditions

Not applicable in the usual sense: MLT-943 is positioned as a research compound rather than a reagent for carrying out chemical transformations. No item-specific reaction data are available.

General experimental considerations (not item-specific):

• If employing MLT-943 as a control or probe in biochemical assays, define incubation time, temperature, and dosing vehicle precisely (e.g., 0.1% DMSO, 37°C, 30–60 min preincubation) and verify stability over the assay window.
• For cell assays, typical exposure times range from 1–72 h with media changes as needed; monitor for precipitation or adsorption to plastics. Include vehicle controls.
• For in vitro enzyme assays, confirm DMSO tolerance of the enzyme system; many tolerate up to 1–2% v/v DMSO, but this is enzyme-dependent.

Note: For authoritative kinetic/assay parameters, consult primary literature or the CoA if a target/mechanism is disclosed.

Safety and Handling

Hazard details for this specific item are not listed in the product data; defer to the SDS for authoritative guidance.

• GHS/CLP classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions for small-molecule research compounds (not item-specific):

• Engineering controls: Handle in a certified chemical fume hood to minimize inhalation exposure, especially when weighing or preparing stocks from dry powders.
• PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., disposable nitrile). Change gloves frequently when using DMSO, as it can enhance dermal absorption of solutes.
• Avoid generating dust or aerosols. Use antistatic tools and microspatulas for fine powders.
• Incompatibilities: Until specific functional groups are known, keep away from strong oxidizers, strong acids/bases, and reactive reducing agents. Segregate from food, feeds, and pharmaceuticals.
• First aid (overview): If on skin, wash with soap and water. If in eyes, rinse cautiously with water for several minutes and seek medical attention. If inhaled, move to fresh air. If ingested, rinse mouth; do not induce vomiting unless directed by medical personnel. Always follow SDS instructions.
• Waste: Collect solutions and contaminated disposables as organic hazardous waste; do not discharge to drain.
• Special risks: Unknown for this item. Assume potential for toxicity or bioactivity in vitro/in vivo; minimize exposure, especially with DMSO stocks.

Storage and transport notes:

• Store at −80°C (per item data). Shipments arrive on dry ice/cold packs; inspect for integrity and re-freeze promptly.

Solvent Selection

Item-specific solubility data are not available. The following are general, practical considerations for small-molecule bioactives (not item-specific):

• Primary stock solvent: DMSO is the default for many screening compounds. Begin with 10 mM and titrate upward to 50–100 mM only if dissolution is complete and stable.
• Alternative aprotic solvents: DMF or NMP can improve solubility for highly lipophilic or H-bonding molecules but are less favored in biological contexts. Ethanol can be suitable for moderately polar organics.
• Aqueous vehicles: If the molecule is ionizable, co-solvent systems (e.g., 5–20% DMSO or ethanol in buffer) or pH adjustment may enable working solutions. Filter sterilize if used in cellular assays.
• Surfactants: For particularly hydrophobic compounds, 0.01–0.1% nonionic surfactants (e.g., Tween 80, Pluronic F-68) can aid dispersion; verify assay compatibility.

Comparison (general, literature-level):

• DMSO: Broad solubilization power; enhances dermal absorption—use care; widely compatible with biochemical assays ≤1–2% v/v.
• DMF/NMP: Strong solvents; higher cytotoxicity risk; use sparingly and validate.
• Ethanol/IPA: Good for medium-polarity compounds; common limits ≤0.5–1% v/v in cells.
• Aqueous buffer only: Suitable if compound is highly polar/ionized; stability must be confirmed.

Recommendations:

• Perform a micro-solubility screen (DMSO, DMF, ethanol, PBS) at small scale. Record visual clarity after vortex/sonication and after 24–48 h at use temperature.
• Always pass DMSO stocks through a PTFE syringe filter (0.22 μm) if particulates are suspected.

Storage and Reconstitution

Item-specific conditions provided:

• Storage Conditions: Store at −80°C.
• Shipped In: Dry ice packs + Cold packs.

Additional guidance (general, not item-specific):

• Upon receipt: Inspect packaging and vial integrity. Immediately transfer to a −80°C freezer. Record the lot number and receipt date.
• Aliquoting: If supplied as a solid, consider splitting into small, single-use portions to minimize freeze–thaw and moisture exposure. If supplied in solution, aliquot under inert atmosphere if feasible.
• Reconstitution: In absence of specific solvent guidance, begin with anhydrous DMSO to prepare a 10–50 mM stock. Confirm complete dissolution visually and by analytical check (e.g., HPLC).
• Working solutions: Dilute DMSO stocks into assay buffer/media just before use, maintaining low final organic content (commonly ≤0.1–1% v/v depending on assay tolerance). Mix thoroughly to avoid localized precipitation.
• Stability: Without item-specific data, assume limited stability at ambient temperature. Keep solutions on ice during setup and return stocks to −80°C promptly after use.
• Freeze–thaw: Avoid repeated cycles. Use single-use aliquots or limit to ≤3 cycles if stability testing demonstrates no degradation (monitor by LC–MS/HPLC).
• Light and humidity: If the compound is light- or moisture-sensitive (unknown here), protect from light and handle quickly in low-humidity conditions (desiccator, inert gas).

Documentation:

• For precise solvent recommendations, concentration limits, and stability windows, consult the lot-specific CoA/Spec Sheet.

Structure and Identity

Brief overview: MLT-943 is listed under small molecules/compound libraries. Item-specific structural identifiers are not provided in the current product data.

• SKU: M655407
• Product Name: MLT-943
• CAS: 1832576-04-1
• CID: 118540057
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• 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 guidance):

• Without a disclosed structure, specific functional groups, heteroatoms, ring systems, or stereochemistry cannot be enumerated for this item.
• For planning purposes, treat MLT-943 as an unknown small-molecule research tool until the CoA/Spec Sheet is consulted.

2D structure (descriptive):

• Not available. Request the structure (SMILES/SDF) to enable cheminformatics work (pKa/logP prediction, similarity searching, substructure flags).

Synthetic Utility

This product is intended as a small-molecule research tool rather than a synthetic building block. As the structure is not disclosed here, specific functional-group transformations or named-reaction participation cannot be described for this item.

General considerations (not item-specific):

• If the structure contains amenable handles (e.g., aryl halides, amines, carboxylates), analog generation via standard cross-couplings (Suzuki, Buchwald–Hartwig), acylation/sulfonylation, or amide couplings may be feasible for SAR exploration—subject to IP and license constraints.
• For analytical chemistry, isotopically labeled analogs (2H/13C/15N) can be synthesized to serve as internal standards; requires knowledge of the scaffold.
• Derivatization for target engagement studies (photoaffinity, biotinylation, click handles) should preserve the pharmacophore; this typically leverages a solvent-exposed vector identified from SAR or docking.

Next steps:

• Obtain the structure (SMILES/SDF) to assess synthetic tractability and plan any analoging or probe development.

Target Specificity

Item-specific target, binding partners, and selectivity profiles are not provided for MLT-943.

• Target/Pathway: Not specified for this item; refer to CoA/Spec Sheet or primary literature linked to CID 118540057.
• Species selectivity, binding constants (Kd/IC50/EC50), and off-target panels: Not specified for this item; refer to CoA/Spec Sheet.

Guidance (general, not item-specific):

• If this compound is used as a tool, obtain a comprehensive selectivity panel relevant to the presumed target class (e.g., kinome, GPCR, ion channels) prior to functional studies.
• Use orthogonal assays (biochemical vs cellular, thermal shift vs activity) to confirm on-target engagement.