LDHA-IN-6 , CAS No.L1439335

CAS: L1439335 Cat. No.: L1439335 Summenformel: C₂₂H₁₈F₃N₃O₄ Molekulargewicht: 445.39

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

LDHA-IN-6 (compound 6) is an oral bioactive inhibitor of lactate dehydrogenase-A ( LDHA ), with the IC 50 of 46 nM. LDHA-IN-6 has antitumor activity.

Specifications

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Molekulargewicht

445.39

Application Protocols

No tested application protocols are provided for this item in the Product Data.

General considerations (non-validated, for planning only):

• Enzyme assay setup: Prepare serial dilutions in DMSO; keep final DMSO constant across wells; include NADH/pyruvate components and monitor absorbance at 340 nm or fluorescence of NADH.
• Cell-based studies: Titrate compound across a wide range (e.g., 0.01–50 µM) with matched vehicle controls; measure lactate release, ECAR, or metabolic flux changes; verify cytotoxicity independently.
• Data quality: Apply appropriate curve-fitting (four-parameter logistic), replicate across days, and confirm with orthogonal readouts.

Note: The above are general literature practices and not validated for this specific product. For item-specific protocols, consult the CoA/Spec Sheet or contact technical support.

Biological Roles

Scope: No therapeutic claims. The following provides biological context for LDHA as a target and the typical roles of LDHA inhibitors as research tools (literature, general).

• Target overview: LDHA (lactate dehydrogenase A) catalyzes interconversion of pyruvate and lactate with NADH/NAD+, a key step in anaerobic glycolysis and redox homeostasis.
• Cellular metabolism: In many cells, especially under hypoxia or high glycolytic demand, LDHA supports rapid ATP production and maintains NAD+ by oxidizing NADH, affecting lactate secretion and intracellular pH buffering via monocarboxylate transporters.
• Research utility of inhibitors: LDHA inhibitors are used to dissect glycolytic dependence, study lactate signaling, and examine compensatory roles of LDHB and mitochondrial metabolism. They aid in probing metabolic plasticity, ROS balance, and sensitivity of pathways dependent on NAD+/NADH ratios.
• Assays and readouts: Common readouts include extracellular acidification rate (ECAR), lactate accumulation, NADH fluorescence decay in enzyme assays, and stable isotope tracing (e.g., 13C-glucose) to map flux changes when LDHA activity is modulated.
• Selectivity considerations: Off-targets (e.g., LDHB or other dehydrogenases) can confound interpretation; therefore, paired genetic controls (siRNA/CRISPR) and orthogonal biochemical assays are advisable to validate LDHA-dependence.

Note: Potency, kinetic mechanism, and cell permeability for this specific item are not specified; determine empirically in your system.

Buffer Applications

This product is not a buffering agent. However, buffers are integral to LDHA biochemical assays (general guidance only):

• Typical enzyme assay buffer (literature, general): 50 mM Tris-HCl or HEPES, pH 7.4–8.0; 100–150 mM NaCl; 1–5 mM MgCl2 (optional); 0.01–0.05% Tween-20 (optional); 0.1–1 mM NADH and substrate (pyruvate) per assay design.
• Reducing agents: Often omitted to avoid interference with NADH-coupled readouts; confirm compatibility if adding DTT/TCEP.
• DMSO tolerance: Validate ≤1% v/v final DMSO for enzyme kinetics; include vehicle controls.
• For cell assays: Use standard culture media; collect conditioned media for lactate measurements; buffer pH near physiological (7.2–7.4) to stabilize LDHA activity in situ.

Item-specific buffer recommendations are not provided. Optimize buffer composition empirically for your assay.

Green Alternatives

Green chemistry considerations for this product focus on solvent choice and experimental design, as the compound itself is a specialized research tool rather than a commodity reagent.

• Prefer DMSO over DMF for stock solutions due to lower toxicity and better assay tolerance (literature, general).
• Minimize solvent volumes and final solvent percentages in aqueous assays to reduce environmental and biological impact.
• Use micro-scale assay formats (96–384 well) to cut chemical usage and waste.
• Evaluate solvent-free film reconstitution (evaporate DMSO under nitrogen to form a thin film in tubes/plates) followed by addition of warm assay buffer with brief sonication if aqueous dissolution is feasible; verify activity after any processing.

Illustrative comparison (general):

• DMSO: High solvency, moderate hazard profile, widely accepted in screening; typically greener than DMF in EHS profiles.
• Ethanol: Renewable origin possible, lower toxicity; limited solvency for many inhibitors; may perturb cells.
• DMF: Strong solvency but reproductive hazard classification and disposal burdens; generally avoided when alternatives suffice.

Note: “Green alternatives” for the active itself are not applicable, as inhibitors differ in potency/selectivity. Instead, implement greener practices in handling, assay scale, and waste management.

Pharmaceutical Uses

No pharmacopeial status or excipient role is provided for this item. This product is supplied strictly for research use only.

General, non-clinical context (no therapeutic claims):

• Tool compound applications: Employed in preclinical discovery workflows to interrogate LDHA as a target in biochemical and cellular models.
• ADME/PK method development: May serve as a reference analyte in development of LC–MS/MS methods, stability studies, or permeability assays (after in-house qualification).
• Formulation screening (discovery scale): Solubility screens in DMSO/water cosolvent systems or lipid-based vehicles to support in vitro or exploratory ex vivo research.

Item-specific regulatory designation, GMP status, or clinical suitability: Not specified for this item; this product is not intended for human or veterinary use.

Physical Properties

Item-specific physicochemical data are not provided in the Product Data.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Purity/Grade: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point, boiling point, density, refractive index, logP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/experience for small-molecule enzyme inhibitors):

• Stock solutions are commonly prepared in anhydrous DMSO (e.g., 10–50 mM), then diluted into assay buffer to ≤1% DMSO final (literature, general).
• Many LDHA inhibitors possess moderate polarity and limited aqueous solubility; co-solvents (DMSO) or pH adjustment may be required (literature, general).
• If crystalline, dissolution can be aided by gentle warming of DMSO (≤37 °C) and brief sonication; filter sterilization through 0.22 µm is often used for cell-based assays (literature, general).

Note: Do not treat the above as specifications for this SKU. Always consult the item-specific CoA/SDS for definitive physical data.

Quality and Grades

Item-specific quality grade and purity are not provided in the Product Data.

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Research Use Note: For research use only.

Context and expectations (general):

• Research-grade small molecules are typically qualified by NMR, MS, and HPLC purity. Verify actual test methods and acceptance criteria on the CoA.
• If provided as a screening library member, batch-to-batch consistency, identity confirmation, and purity thresholds (often ≥95% by HPLC for screening) are common but must be confirmed on the Spec Sheet (not specified here).
• Where stabilizers or salt forms are relevant, they will be listed on the Spec Sheet. None are specified for this item.

Practical guidance:

• For quantitative biology or SAR, request or review full analytical data (1H NMR, 13C NMR, HRMS, chromatographic purity) for the exact lot you receive.
• Low-UV or LC-MS compatible grades are relevant only if explicitly stated; otherwise assume standard research grade and validate in your assay system.

Reaction and Applications

This product is a bioactive small molecule intended for research applications, not a synthetic reagent or solvent.

Applicable research uses (general, no medical/clinical claims):

• As a tool compound to probe lactate dehydrogenase A (LDHA) function in biochemical assays (e.g., NADH consumption, pyruvate-to-lactate turnover) and in cell-based metabolic studies (literature, general).
• Chemical biology: Modulating glycolytic flux and lactate production to study metabolic reprogramming, redox balance, and downstream signaling dependent on LDH activity (literature, general).
• Screening/validation: Benchmark or reference inhibitor in enzymology panels, target engagement assays (e.g., CETSA/thermal shift), and structure–activity relationship (SAR) campaigns (literature, general).

Not typically applicable:

• It is not used to catalyze or participate in synthetic organic reactions (e.g., Grignard, cross-coupling). For such purposes, see our reagents section.

Practical considerations:

• Ensure robust negative/vehicle controls to isolate LDHA-dependent readouts.
• Consider metabolic compensation pathways (e.g., LDHB, MCT transporters) when interpreting cellular phenotypes; include orthogonal assays (literature, general).

Note: No item-specific IC50/ Ki, selectivity, or assay-validated conditions are provided here. Consult literature or generate in-house data for your system.

Reaction Conditions

Not applicable to this product’s primary use. LDHA-IN-6 is not intended for use as a reagent or catalyst in synthetic organic reactions.

If employing the compound in biochemical inhibition assays (general guidance only):

• Stock preparation: Dissolve in anhydrous DMSO (e.g., 10–50 mM), aliquot, store at −20 °C. Avoid repeated freeze–thaw.
• Assay temperature: Typically ambient to 37 °C for enzymology; verify enzyme stability across temperature.
• Time course: Kinetic assays often run 5–30 minutes; endpoints adjusted to stay within linear range of NADH signal.
• Controls: Include vehicle controls and, if available, a positive control LDHA inhibitor for benchmarking potency.

Note: No item-specific kinetic parameters, potency, or stability data are provided; determine optimal conditions empirically.

Safety and Handling

Hazard classification for this specific item is not provided in the Product Data.

• Signal word: Not specified for this item; refer to SDS.
• H-statements, GHS classification, pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (good practice):

• Handle in a chemical fume hood; avoid inhalation, ingestion, and skin/eye contact.
• Wear appropriate PPE: lab coat, safety glasses, and chemical-resistant gloves (e.g., nitrile). For weighing powders, consider a mask or work in a ventilated enclosure to minimize dust.
• Avoid repeated freeze–thaw of DMSO stocks; aliquot to limit exposure and potential degradation.
• Incompatibilities: Strong oxidizers, strong acids/bases may degrade many organic inhibitors (general). Keep away from ignition sources when using organic solvents.

First aid (overview; defer to SDS):

• Skin/eyes: Rinse with water for 15 minutes; remove contaminated clothing; seek medical attention as needed.
• Inhalation: Move to fresh air; seek medical attention if symptoms persist.
• Ingestion: Rinse mouth; do not induce vomiting; seek immediate medical attention.

Waste disposal:

• Collect solutions containing organic solvents (e.g., DMSO) as organic waste according to institutional and regulatory requirements.

Authoritative safety information for this product should be taken from the product-specific SDS.

Solvent Selection

Applicability: As a small-molecule LDHA inhibitor, solvent selection primarily concerns stock preparation and assay compatibility rather than use as a reaction solvent.

Recommended approach (general, literature):

• Primary solvent: Anhydrous DMSO for stock solutions (e.g., 10–50 mM). DMSO offers broad solvating power and compatibility with biochemical assays at ≤0.5–1.0% v/v final.
• Secondary options: DMF or ethanol can dissolve some scaffolds but may be less compatible with cells/enzymes. Use only if validated and keep final concentration minimal (typically ≤0.1–0.5% v/v for cells; literature, general).
• Aqueous buffers: Direct dissolution in water or PBS may be limited; consider pH adjustment only if the compound has ionizable groups and biological activity is pH-sensitive (literature, general).

Assay compatibility tips:

• Pre-warm DMSO to room temperature and vortex/sonicate to fully dissolve; filter stocks if sterility is required.
• Maintain identical final DMSO concentration across controls and treated samples to avoid solvent-related artifacts.
• Avoid freeze–thaw cycles; prepare single-use aliquots.

Comparison (general):

• DMSO: Highest solvency and broad assay compatibility.
• Ethanol: Lower solvency; sometimes acceptable for short incubations; may affect membrane integrity.
• DMF: Strong solvency; potential cytotoxicity and enzyme interference; use with caution.

Note: Item-specific solubility is not provided; confirm experimentally.

Storage and Reconstitution

Item-specific storage provided in Product Data:

• Storage Conditions: Store at −20 °C.
• Shipped In: Ice chest + ice pads.

Reconstitution guidance (general best practices; not item-specific specifications):

• Solvent: Use anhydrous DMSO to prepare concentrated stock solutions (e.g., 10–50 mM), unless item-specific solubility guidance indicates otherwise.
• Technique: Allow vial to equilibrate to room temperature before opening to prevent moisture condensation. Add a measured volume of solvent, vortex, and, if needed, brief sonication. Avoid prolonged heating.
• Aliquoting: Dispense into single-use microtubes or plate wells; minimize headspace; store at −20 °C (or lower) protected from light if the scaffold is potentially photosensitive (general precaution).
• Stability: Avoid repeated freeze–thaw cycles. Record preparation date and concentration on labels. Verify stability by LC–MS/HPLC if the material is to be stored for extended periods.
• Aqueous dilution: Immediately before use, dilute DMSO stock into assay buffer to the desired working concentration, maintaining consistent final DMSO across samples.

Always consult the item-specific CoA/SDS for definitive storage and handling instructions.

Structure and Identity

Brief overview: LDHA-IN-6 is cataloged as a small-molecule research tool, named to indicate activity as an LDHA (lactate dehydrogenase A) inhibitor. Item-specific structural identifiers are not provided in the Product Data.

• SKU: L1439335
• Product Name: LDHA-IN-6
• Category: Small molecules and compound libraries (小分子和化合物库)
• CAS: L1439335 (catalog placeholder; not a validated CAS number)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general, literature context for LDHA inhibitors):

• Many LDHA inhibitors feature heteroaromatic cores and H-bond donors/acceptors designed to engage the NADH/lactate binding pocket (literature, general).
• Typical functionalities may include carboxamides, sulfonamides, or heterocycles that mimic pyruvate/lactate binding (literature, general).

2D structure (general description): Without item-specific SMILES/InChI, the 2D scaffold for LDHA-IN-6 cannot be depicted. Typical LDHA inhibitor structures are compact aromatic/heteroaromatic systems with polar substituents positioned for active-site recognition (literature, general).

Synthetic Utility

Not typically applicable. LDHA-IN-6 is positioned as a bioactive small molecule research tool, not a building block or reagent for synthetic transformations.

General notes (for context only):

• If structural information becomes available, medicinal chemists may use analogs of LDHA-IN-6 as scaffolds for SAR exploration around LDHA binding motifs (literature, general).
• Without item-specific functional group data (SMILES/InChI), no guidance on derivatization, protection strategies, or named reactions is appropriate for this SKU.

For synthetic chemistry needs (cross-couplings, carbonyl chemistry, heterocycle construction, etc.), consult our catalog sections dedicated to reagents and building blocks.

Target Specificity

Item-specific target data are not provided in the Product Data.

• Intended target by name inference: LDHA (lactate dehydrogenase A) — inference based on product name only; not an item-specific specification.
• Selectivity vs. LDHB or other dehydrogenases, binding site, and mechanism (competitive/noncompetitive, NADH- or substrate-competitive): Not specified for this item; refer to CoA/Spec Sheet or primary literature if available for this exact identifier.

Users should generate or request assay data (IC50/Ki, thermal shift, SPR/ITC, cellular target engagement) for the exact lot to confirm specificity.