MenA-IN-2 - Moligand™, 10 mM in DMSO , CAS No.3026690-49-0

CAS: 3026690-49-0 Cat. No.: M1497848 Formula: C₂₃H₃₁ClN₂O Molecular Weight: 386.96

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

MenA-IN-2 (Compound 11) is an inhibitor of 1,4-dihydroxy-2-naphthoate prenyltransferase ( MenA ). MenA-IN-2 inhibits MenA with an IC 50 value of 22 µM and inhibits Mycobacterium tuberculosis ( Mtb ) with an GIC 50 value of 10 µM. MenA-IN-2 can curb the continuous transmission of Mtb.

Specifications

Specifications & Purity

Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Names and Identifiers

Molecular Weight

386.96

Application Protocols

No tested applications or protocols are provided in the Product Data for this SKU.

General, research-only starting points (not item-specific):

• Biochemical enzyme assay:
  • Prepare serial dilutions from a 10–50 mM DMSO stock to achieve final assay concentrations across 0.01–50 µM at ≤1% DMSO.
  • Include positive/negative controls, vehicle control, and a counter-assay to detect assay interference.
• Cell-based assay:
  • Titrate 0.03–30 µM with matched vehicle controls; monitor cytotoxicity independently (e.g., CellTiter or LDH release) to contextualize phenotypes.
• Data quality:
  • Use triplicates or greater; perform at least three independent runs; evaluate Z′-factor for high-throughput screens.

These are illustrative, literature-style suggestions and not validated protocols for this specific product.

Biological Roles

Item-specific biological activity data are not provided for this SKU. The following is general, literature-based context and is not a claim about this specific item.

• MenA enzyme context (literature):

  • MenA (1,4-dihydroxy-2-naphthoate octaprenyltransferase) catalyzes the prenylation of 1,4-dihydroxy-2-naphthoate (DHNA) with an isoprenyl diphosphate to form demethylmenaquinone, a key step in bacterial menaquinone (vitamin K2) biosynthesis. Menaquinone functions as an electron carrier in bacterial respiratory chains.
  • Chemical probes that inhibit MenA are used to interrogate bacterial energy metabolism and the quinone pool, often to study respiratory adaptation under various conditions. Activity profiles can be species-dependent due to differences in prenyl donor length preferences and enzyme sequence.

• Research utility of tool compounds (general):

  • When characterized, MenA-targeted tool compounds can enable target engagement assays, dose–response profiling, and pathway validation in biochemical and cellular systems.
  • Off-target assessment (e.g., membrane perturbation, general redox effects) is critical, as quinone-pathway probes may influence multiple redox-active processes.

No target, potency, or selectivity data are provided for MenA-IN-2 in this listing. Users should generate or request activity data prior to making mechanistic inferences.

Buffer Applications

This is a small-molecule screening compound and not a buffering agent. Conventional buffer system formulation (e.g., phosphate, HEPES, Tris) is not directly applicable to the function of this product.

Practical notes (general):

• Prepare DMSO stocks and dilute into your assay buffer of choice while keeping final DMSO at a level compatible with the biological system (commonly ≤0.5–1% v/v).
• If precipitation occurs upon dilution, adjust ionic strength, add compatible cosolvent/surfactant, or pre-solubilize at higher DMSO followed by stepwise dilution.

No pKa or buffering capacity data are provided for this item.

Green Alternatives

As a screening compound, MenA-IN-2 is not itself replaced by a “green alternative.” However, you can optimize the environmental footprint of associated procedures via solvent selection and workflow design.

• Solvent choices (general suggestions):

  • Prefer water-based buffers with minimal DMSO (≤0.5–1% v/v) where assay-compatible.
  • If organic co-solvent is required, consider ethanol or isopropanol in place of DMF/NMP when performance allows, acknowledging their different solvency and biological impacts.
  • For analytical sample prep, acetonitrile often offers a better EHS profile than halogenated solvents.

• Operational practices:

  • Use miniaturized assay formats (384/1536-well) to reduce solvent use and waste.
  • Implement solvent recycling for ACN in LC workflows where feasible.
  • Consolidate shipments on dry ice to minimize packaging waste and transport emissions while maintaining cold chain.

Trade-offs:

• Lower-toxicity solvents may reduce solubility for hydrophobic compounds, increasing precipitation risk or variability. Validate greener substitutions with small pilot tests before scale-up.

Pharmaceutical Uses

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

General, non-clinical context:

• Early discovery: Such compounds may be explored as chemical probes in biochemical and cellular assays during target validation and hit-to-lead investigations. Any transition beyond discovery requires expanded quality controls (solid form, polymorph, counter-ion, residual solvents, stability, and impurity profiles) and extensive safety evaluation.
• Formulation screening (in vitro): DMSO stock solutions are commonly used for screening. For preformulation studies, solubility and stability can be profiled across pH 2–9, in the presence of cyclodextrins, or with co-solvents; none of these data are provided for this item.

This listing makes no claims regarding therapeutic use, safety, or efficacy. Not for human or veterinary use.

Physical Properties

Item-specific physico-chemical data were not provided in the Product Data for this SKU.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point / 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/literature guidance for screening compounds (not item-specific):

• Many discovery compounds are supplied as solids with moderate lipophilicity (cLogP 1–5, literature) and are typically dissolved in anhydrous DMSO to make 10–50 mM stocks for screening or profiling.
• Aqueous solubility and ionization behavior can vary substantially with chemotype; if precipitation is observed upon dilution from DMSO to assay buffer, consider lowering final DMSO to ≤0.5–1% v/v, adding cosolvent (0.01–0.05% Tween-20 or 0.1% BSA where assay-compatible), or adjusting pH within assay constraints.

Always consult the lot-specific CoA for authoritative values and perform a small-scale solubility test in intended assay media.

Quality & Grades

• Item-specific grade: Moligand™ (from Product Data)

What Moligand™ typically implies (general explanation):

• Moligand™ designates small-molecule tool compounds curated for screening, target validation, and chemical biology workflows. Such materials are commonly provided with identity confirmation (e.g., LC–MS, 1H NMR) and a stated purity specification suited to discovery assays.
• Purity level, residual solvent content, and analytical controls: Not specified for this item; refer to CoA/Spec Sheet for definitive metrics, chromatograms, and acceptance criteria.

How to interpret grade vs. application:

• Screening and profiling: Moligand™ materials are appropriate for biochemical/biophysical assays, cell-based phenotypic screens, and mechanistic studies once solubility and assay interference are verified.
• Quantitative pharmacology or in vivo work: Additional quality controls (endotoxin, elemental analysis, salt form, counter-ions) may be necessary. This product is for research use only.
• Chromatographic behavior: UV cutoff, residual stabilizers, or extinction coefficients are not provided for this item. If you plan analytical quantitation, establish a validated method (e.g., LC–UV/LC–MS) with a reference standard from the same lot.

Documentation:

• For batch-specific details (purity, analytical methods, spectral data), consult the Certificate of Analysis. Contact technical support if you require orthogonal characterization or a signed specification sheet.

Reaction & Applications

This product is positioned as a research screening compound rather than a synthetic reagent. No manufacturer reaction-use claims or chemistry application notes were provided.

Applicable research uses (general, research-only):

• Biochemical assays: Evaluate effects on enzyme activity, binding, or pathway modulation in vitro; establish dose–response and mechanism-of-action hypotheses where appropriate.
• Cell-based studies: Probe phenotypic outcomes or pathway engagement, subject to solubility, permeability, and cytotoxicity profiling.
• Chemical biology: Potential use as a tool compound to interrogate bacterial menaquinone biosynthesis in exploratory studies, contingent on verified activity of this specific item.

Not typically applicable:

• Named organic reactions (e.g., cross-coupling, carbonyl chemistry) are not relevant unless the compound bears suitable reactive handles, which are not specified here.

Practical tips:

• Verify compound identity and purity by LC–MS/NMR before critical studies.
• Establish a robust dilution protocol from DMSO stocks to avoid precipitation and aggregation artifacts (check by light scattering or detergent controls).
• Include counter-screens for assay interference (e.g., redox cycling, fluorescence quench/bleed-through) as appropriate to your detection modality.

Reaction Conditions

Not applicable. MenA-IN-2 is a screening compound and is not supplied with recommended conditions for use in chemical synthesis.

General notes for biological testing (not item-specific):

• Stock solutions: Prepare at 10–50 mM in anhydrous DMSO. Filter sterilize if required by assay, bearing in mind potential adsorption losses.
• Working concentrations: Typical testing spans 0.01–50 µM in biochemical assays; concentrations for cell-based assays should consider cytotoxicity and solubility windows.
• Incubation: Establish time course empirically; include vehicle controls at matched DMSO.

No yields, catalysts, or thermal parameters are applicable.

Safety & Handling

Safety information specific to this item was not provided in the Product Data.

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

Best-practice handling (general guidance for research chemicals):

• Use in a chemical fume hood. Avoid inhalation of dust/aerosols and contact with skin/eyes.
• Wear appropriate PPE: lab coat, safety glasses or chemical splash goggles, and nitrile gloves (change regularly). For weighing fine powders, consider double-gloving and antistatic precautions.
• Prevent environmental release. Collect waste in properly labeled containers per institutional and local regulations.
• Incompatibilities: Unknown for this specific item; as a precaution, avoid strong oxidizers, strong acids/bases, and reactive metals until compatibility is known.
• First aid (overview; defer to SDS):
  • Inhalation: Move to fresh air; seek medical advice if symptoms persist.
  • Skin contact: Wash with soap and water; remove contaminated clothing.
  • Eye contact: Rinse cautiously with water for several minutes; remove contact lenses if present and easy to do.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
• Fire safety: If organic, most small molecules are combustible. Use CO2, dry chemical, or foam extinguishers. Avoid high-temperature decomposition products.

Always review the specific Safety Data Sheet (SDS) for this SKU prior to use.

Solvent Selection

Given the lack of item-specific solubility and functional group data, solvent selection should follow general best practices for screening compounds.

• Primary stock preparation:

  • DMSO (anhydrous) is typically preferred to prepare 10–50 mM stocks due to broad solvency and assay compatibility at ≤0.5–1% v/v final.
  • If DMSO sensitivity is anticipated (e.g., certain enzymes or cells), NMP or DMF can be used for concentrated stocks, then serially diluted into aqueous buffer with rapid mixing; verify assay tolerance.

• Aqueous dilution strategy:

  • Dilute DMSO stocks into assay buffer (e.g., HEPES, phosphate, Tris) with vigorous mixing to minimize precipitation. Consider adding 0.01–0.05% nonionic surfactant when compatible to mitigate aggregation.
  • For very hydrophobic entities, pre-wet plasticware with DMSO-containing buffer to reduce adsorption.

• Co-solvent miscibility and choices (general):

  • Water miscibility: DMSO and DMF are fully miscible; MeOH/EtOH can assist but may affect assays.
  • Nonpolar media: If needed for biophysical studies, use isopropanol or acetonitrile blends, then back-dilute into buffer.

• Quick comparison (general, not item-specific):

  • DMSO: strongest solvency; broadly tolerated at ≤1%.
  • DMF/NMP: high solvency; consider cytotoxicity and extraction of plastics.
  • ACN: volatile, good for LC; limited capacity for highly lipophilic solids as a sole vehicle.

Always verify solubility, clarity, and absence of precipitation at working concentrations in your exact assay matrix.

Storage & Reconstitution

• Storage conditions (from Product Data): Store at -80°C
• Shipping (from Product Data): Shipped on dry ice packs + cold packs to maintain cold chain.

Reconstitution (general guidance for small-molecule screening compounds):

• Allow the vial to equilibrate to room temperature in a desiccated environment before opening to prevent moisture condensation.
• Prepare a concentrated stock solution in anhydrous DMSO (e.g., 10–50 mM). If sterility is required, pass through a low-protein-binding 0.22 µm PTFE filter.
• Aliquot stocks into inert, amber vials or plates to minimize freeze–thaw cycles and light exposure.

Handling and stability notes:

• Minimize cumulative freeze–thaw; store aliquots at -80°C. Avoid frost-free freezers that cycle temperatures.
• Protect from light if the compound is aromatic or potentially photosensitive (structure not provided; adopt precautionary light protection).
• Working solutions in aqueous buffer are generally less stable; prepare fresh on the day of use and keep on ice as assay permits.

Item-specific stability, hygroscopicity, and impurity limits: Not specified for this item; refer to CoA/Spec Sheet. Always verify integrity by LC–MS or HPLC upon first use and periodically during extended studies.

Structure & Identity

Brief: MenA-IN-2 is supplied as a Moligand small-molecule library member intended for research screening. Item-specific structural identifiers have not been provided in the Product Data.

• Item-specific identifiers (from Product Data):

  • Chemical name: Not specified for this item; refer to CoA/Spec Sheet.
  • CAS: 3026690-49-0
  • 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 description (general guidance):

  • No structure is provided for this catalog entry. If you require definitive stereochemistry, ring systems, or functional group annotation, consult the batch-specific Certificate of Analysis (CoA) or request the structure file (SDF/MOL) from technical support.

• Literature/general context (not item-specific):

  • The “MenA-IN” naming convention is commonly used in literature to denote small-molecule tool compounds investigated as inhibitors of bacterial 1,4-dihydroxy-2-naphthoate octaprenyltransferase (MenA) in the menaquinone biosynthetic pathway. Exact chemotypes vary widely (e.g., naphthoate analogs, benzoxazine derivatives, and other privileged scaffolds), and therefore physicochemical properties are chemotype-dependent. No specific scaffold is confirmed for this item here.

Synthetic Utility

Synthetic applications are not typically relevant for this product class. MenA-IN-2 is offered as a screening compound rather than as a synthetic building block or reagent.

• No functional group information, leaving group content, or handles for derivatization are provided in the Product Data.
• If derivatization or SAR expansion is intended, request the structure and consider sourcing related analogs from the same library or via custom synthesis.

For organic synthesis tasks (e.g., cross-couplings, nucleophilic substitutions), select purpose-built building blocks or reagents with well-defined reactivity and purity specifications.

Target Specificity

No target specificity data are provided in the Product Data for this SKU.

• Target name, species reactivity, binding site/epitope, isotype/clone: Not specified for this item; refer to CoA/Spec Sheet or activity datasheet if available.

Note: Although the name “MenA-IN-2” suggests a potential research focus on the bacterial MenA enzyme, no activity, selectivity, or profiling data are supplied here. Users should verify target engagement experimentally.

Frequently Asked Questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3026690-49-0, the molecular formula is C23H31ClN2O, and the molecular weight is 386.96 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.