Antimalarial agent 18 , CAS No.A1421160

CAS: A1421160 Cat. No.: A1421160 분자식: C₂₃H₄₄NO₉P 분자량: 509.57

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Antimalarial agent 18 is an potent antimalarial agent, based on electronic, highly lipophilic and siderophoric properties. Antimalarial agent 18 belongs to acyloxymethyl series, as a fosmidomycin surrogate, which is potent IspC inhibitor against the non-mevalonate isoprenoid biosynthesis pathway. Antimalarial agent 18 inhibits P. falciparum ( IC 50 =50 nM) and A. baumanii ( IC 50 =390 nM).

Specifications

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

INHIBITOR

이름과 식별자

• 분자량: 509.57

Application Protocols

Not applicable as validated assay protocols

• No item-specific, validated protocols (e.g., WB, IHC, IF, FC) are provided, and these modalities are not relevant to a general small-molecule research compound.

General usage guidance for small-molecule screening (not item-specific)

• Stock preparation: Dissolve in DMSO to 10–50 mM. Vortex and, if needed, sonicate briefly. Avoid repeated freeze–thaw by aliquoting.
• Plate setup: Use serial dilutions (e.g., 10-point, 3-fold) with matched DMSO controls. Aim for final DMSO ≤0.5–1% v/v in biological assays.
• Readouts: Choose orthogonal assay formats (e.g., luminescence, absorbance, imaging) and confirm lack of assay interference via counterscreens.
• Data QC: Include positive/negative controls, Z′ factor assessment for HTS, and replicate wells to quantify variability.

For any item-specific protocol recommendations, consult the product’s CoA/Spec Sheet when available.

Biological Roles

Item-specific facts (from Product Data)

• No biological targets, mode of action, or organismal data are provided for this item.

General context (not item-specific; research use only)

• “Antimalarial agent” denotes a compound intended for research into pathways relevant to Plasmodium biology (e.g., hemoglobin digestion, heme detoxification/crystallization, folate pathway, mitochondrial electron transport, isoprenoid biosynthesis). This does not imply therapeutic suitability.
• Typical research applications include:
  • Probing parasite-specific enzymes or organelles (e.g., digestive vacuole, apicoplast) using biochemical or imaging assays.
  • Benchmarking against known tool compounds to position activity profiles.
  • Studying resistance mechanisms in vitro by laboratory selection followed by genomic analysis.
• Without a structure or target, classification as an inhibitor/agonist or engagement of a specific pathway cannot be made. For mechanistic studies, combine phenotypic assays with orthogonal target ID methods (thermal shift, CETSA, pull-downs with derivatized analogs, or CRISPR-based genetic validation), once permitted by the compound’s chemical information.

Reminder: All uses are restricted to laboratory research. No medical, diagnostic, or clinical claims are made or implied.

Buffer Applications

Applicability note

• This item is a small-molecule screening compound. It is not itself a buffering agent and does not form a defined buffer system.

General laboratory guidance (not item-specific)

• When formulating assay-ready solutions, dissolve the compound in DMSO to prepare a concentrated stock, then dilute into an appropriate biological buffer while keeping final DMSO at a tolerated level (often ≤0.5–1% v/v for cell assays).
• Common buffers for parasite/cell assays include PBS, HEPES, or RPMI-based media (for cell culture), adjusted to appropriate pH and osmolarity. Verify the compound’s chemical stability across the chosen pH range once structural data are available.
• To mitigate precipitation upon dilution, add compound stock slowly with vigorous mixing, or pre-warm buffers if the compound shows temperature-dependent solubility (general practice).

Note: No buffer recipes or pKa values are provided for this item; consult the CoA/Spec Sheet if such information becomes available.

Green Alternatives

Context

• Solvent and process choices dominate the environmental footprint for handling small-molecule screening compounds. The structure of Antimalarial agent 18 is not provided, so “greener” considerations focus on solvent selection and workflow.

General greener options (not item-specific)

• Prefer ethanol or water-based buffers where solubility and stability permit. For plate work, pre-wet wells with buffer to minimize DMSO carryover.
• If DMSO stocks are required, use the minimum practical final assay concentration (≤0.5% v/v is common) and implement solvent recovery for bulk preparations.
• For purification/analytics, consider ethanol or isopropanol in place of acetonitrile/methanol where method performance allows.

Illustrative comparison (general)

• DMSO: excellent solvency; low volatility; worker exposure and aquatic persistence concerns are moderate; keep final % low.
• Ethanol: renewable and biodegradable; may limit solubility for highly lipophilic compounds.
• Water/buffer: greenest option; constrained by ionization and hydrolytic stability of the compound.

Operational practices

• Use small-volume, sealed aliquots to reduce waste.
• Adopt miniaturized assays (384/1536-well) to cut solvent usage.
• Apply analytical methods that minimize hazardous eluents (e.g., shorter gradients, higher aqueous content) when feasible.

Pharmaceutical Uses

Applicability note

• This product is provided strictly for research use only. No pharmacopeial status, excipient role, or manufacturing specifications are provided.

General considerations (not item-specific)

• In preclinical research settings, bioactive compounds may be used to explore formulation approaches (e.g., cosolvent systems, cyclodextrin inclusion, lipid-based vehicles) to support in vitro or ex vivo studies. Such activities are exploratory and do not imply suitability for human or veterinary use.
• If formulation screening is attempted, document solvent percentages, vehicle composition, and compound stability (e.g., LC–MS time-course) to ensure data reproducibility.

Item-specific facts

• Pharmacopeial listings, GMP grade, residual solvent limits, and impurity profiles: Not specified for this item; refer to CoA/Spec Sheet.

Statement of use

• No clinical, diagnostic, or therapeutic application is claimed or supported. Use is limited to laboratory research under appropriate institutional approvals.

Physical Properties

Item-specific facts (from Product Data)

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Melting 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.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• logP/logD, pKa: Not specified for this item; refer to CoA/Spec Sheet.

Interpretive notes (general)

• Bioactive screening compounds are frequently provided as solids and are commonly dissolved in DMSO to prepare 10–50 mM stocks for HTS or secondary assays (general practice; not item-specific). If aqueous work is intended, a cosolvent system (e.g., DMSO + buffer, pH adjustment, or inclusion of solubilizers like 0.5–1% Tween 80) may help; verify chemical compatibility once the structure is known.
• If you receive a solid with uncertain melting behavior, a quick differential scanning calorimetry (DSC) or capillary MP screen can help confirm identity/quality (general recommendation).
• For analytical profiling without structural data, consider obtaining a reference spectrum set (1H/13C NMR if soluble, HRMS, and LC–UV/MS) to build an internal property dossier.

Quality and Grades

Item-specific facts (from Product Data)

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

Interpretive guidance

• Screening library entries are typically supplied at high chemical purity (often ≥95% by HPLC/LC–MS), enabling biochemical and cell-based studies with minimal off-target interference; however, the exact specification for this item is not provided here. Confirm by reviewing the item’s CoA for methods (HPLC conditions, detection wavelength, LC–MS, NMR) and acceptance criteria.
• If UV transparency or low residual solvent/metals are critical (e.g., for photophysical assays or sensitive catalysis), verify those in the Spec Sheet. Do not assume values for water content, residual solvents, peroxides, or metal limits; these are not specified for this item.
• Suggested QC on receipt (general):
  • Identity: HRMS and orthogonal method (1H NMR).
  • Purity: Analytical HPLC (multi-λ UV) or LC–MS.
  • Stability: Short-term thermal stress at 40°C with re-analysis to confirm integrity.
• If performing SAR or screening cascades, consider lot-to-lot bridging by re-running a reference assay or LC–MS to ensure consistency.

Reaction and Applications

Applicability note

• This product is positioned as a bioactive screening compound (“Antimalarial agent 18”), not as a synthetic reagent or catalyst. Consequently, classical synthetic reaction applications are not typically applicable.

Research applications (general, non-clinical)

• Tool compound usage in discovery biology:
  • Phenotypic screening against Plasmodium spp. in cell-based assays (in vitro) to generate preliminary activity profiles.
  • Target deconvolution workflows (e.g., chemoproteomics, CRISPR knockouts) once structure and activity are confirmed.
  • SAR expansion: if analog series are available, build structure–property relationships and assess selectivity indices against off-target organisms or mammalian cells.
• Assay formats (general guidance):
  • Enzymatic assays (e.g., heme detoxification surrogates, redox/mitochondrial function readouts) if a mechanism hypothesis exists.
  • Orthogonal counterscreens to flag assay interference (redox cyclers, aggregators) using detergent supplementation or DLS.

Practical tips (general)

• Prepare single-use DMSO aliquots to minimize freeze–thaw and hygroscopic uptake.
• Include solvent-only controls at matched DMSO %.
• Confirm compound integrity post-assay via LC–MS to exclude degradation as a confounder.

Note: No item-specific mechanism, targets, or activity values are provided here.

Reaction Conditions

Not typically applicable

• This product is not supplied as a reagent for chemical synthesis, and its structure is not disclosed. Therefore, recommended reaction conditions, catalysts, or temperature profiles cannot be provided for this item.

General guidance for handling in research assays (not item-specific)

• Stock solutions: Prepare at 10–50 mM in anhydrous DMSO; filter-sterilize (0.22 µm PTFE) if required for cell-based assays. Confirm solubility visually and by LC–MS.
• Working concentrations: Determine empirically via serial dilution; include solvent controls that match final DMSO percentage.
• Stability checks: Monitor by LC–MS after incubation under assay conditions (time-course) to detect hydrolysis/oxidation.
• Light/oxygen sensitivity: If degradation is suspected, handle under low light, minimize headspace, and consider inert-atmosphere aliquoting for long-term storage.

For any synthetic use or derivatization, obtain the structure and consult the literature for reaction precedents on the specific scaffold.

Safety and Handling

Item-specific facts (from Product Data)

• GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.
• Storage conditions: Store at −20°C.
• Shipping: Ice chest + ice pads (cold-chain maintained).

General laboratory guidance (not item-specific; defer to SDS)

• Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile). Avoid inhalation of dust/aerosols and skin/eye contact.
• Unknown toxicity: treat as potentially harmful. Prevent ingestion/inhalation; wash thoroughly after handling.
• If dissolved in organic solvents (e.g., DMSO), observe the solvent’s GHS hazards and skin permeation risks; avoid contact and use secondary containment.
• Incompatibilities cannot be specified without structure; by default avoid strong oxidizers/reductants and reactive bases/acids until compatibility is known.
• First aid (overview; seek medical attention):
  • Skin/eye contact: rinse with water for at least 15 minutes; remove contaminated clothing.
  • Inhalation: move to fresh air; monitor breathing.
  • Ingestion: rinse mouth; do not induce vomiting; obtain medical help.
• Waste: collect solutions/solids as organic hazardous waste following institutional and regulatory requirements.
• For authoritative safety information, consult the product-specific SDS and CoA before use.

Solvent Selection

Item-specific facts (from Product Data)

• No solubility or solvent preferences are specified for this item; refer to CoA/Spec Sheet.

General guidance for bioactive small molecules (not item-specific)

• Primary stock preparation: DMSO is the default solvent for small-molecule screening compounds due to broad solvency and assay compatibility at ≤0.5–1% v/v in assay wells.
• Secondary options when structure/solubility allow: DMF, ethanol, or aqueous buffers with minimal cosolvent. For highly lipophilic scaffolds, consider co-solvent mixes (e.g., DMSO:PEG400:water) or a small percentage of nonionic surfactant.
• Aqueous work: Adjust pH to favor ionized forms (if pKa is later disclosed) to increase solubility; ensure chemical stability under chosen pH.
• Volatile solvent concentrates (e.g., MeOH, ACN) can assist in film formation for plate-coating protocols; reconstitute with DMSO/buffer immediately before use.

Comparison (general considerations)

• DMSO: broad solvency, low volatility; potential assay interference at high %.
• Ethanol: greener, volatile; limited solvency for very lipophilic compounds.
• DMF: strong solvency; higher toxicity; reserve for challenging solutes.
• Aqueous buffer: best for biocompatibility; constrained by compound ionization/stability.

Storage and Reconstitution

Item-specific facts (from Product Data)

• Storage: Store at −20°C.
• Shipping: Ice chest + ice pads (maintain cold chain).
• Appearance, stabilizers, and reconstitution solvent: Not specified for this item; refer to CoA/Spec Sheet.

General best practices (not item-specific)

• Upon receipt: Allow container to equilibrate to room temperature before opening to prevent condensation. Record lot information and date of opening.
• Aliquoting: Prepare small, single-use aliquots to avoid repeated freeze–thaw. Use low-bind tubes; purge headspace with inert gas if oxidation-sensitive (assess once structure is known).
• Reconstitution: Commonly reconstituted in anhydrous DMSO to 10–50 mM. Mix thoroughly; if insoluble, gently warm (≤37°C) or sonicate briefly. Avoid moisture ingress to DMSO stocks.
• Storage of solutions: Keep DMSO stocks at −20°C or −80°C, protected from light. Document freeze–thaw cycles; discard upon evidence of precipitation or degradation (verify by LC–MS/HPLC).
• Aqueous dilutions: Prepare fresh on the day of use. Filter through 0.22 µm if sterility is needed. Maintain consistent final solvent percentages across controls and test conditions.

Always consult the product-specific CoA and SDS for authoritative instructions and stability data.

Structure and Identity

Item-specific facts (from Product Data)

• Product name: Antimalarial agent 18 (SKU: A1421160)
• CAS: A1421160 (internal/catalog identifier)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.

Interpretive notes (general)

• The designation “Antimalarial agent 18” indicates a discrete small-molecule entry within a bioactive/antimalarial screening set. The precise chemical structure is not disclosed in the provided data.
• Without a disclosed structure, functional groups, ring systems, and stereochemical information cannot be described. If your work requires structural features (e.g., to plan analytical methods or docking), please request the compound’s structure or consult the item-specific CoA/Spec Sheet.
• Typical small-molecule screening entries are organic compounds in the 200–700 Da range (literature/generic guidance), often containing heteroatoms (N, O, S) and aromatic scaffolds for drug-likeness; however, these are not specific to this item.

Synthetic Utility

Applicability note

• As a designated screening compound (“Antimalarial agent 18”), this product is not positioned as a building block or reagent. Synthetic transformations or coupling strategies specific to this molecule cannot be described without its structure.

General guidance (not item-specific)

• If derivative synthesis or probe development is desired, obtain the structure and assess sites amenable to modification (e.g., heteroaryl halides for cross-coupling, amines/carboxyls for amide formation). Plan protecting-group strategies consistent with the compound’s stability.
• For target ID, consider designing photoaffinity or clickable analogs once reactive handles can be mapped onto the scaffold without ablating activity; structure-activity data will guide linker placement.
• Analytical support for synthetic work: LC–MS for rapid purity checks, qNMR for assay-grade quantitation, and chiral HPLC if stereochemistry is involved.

Note: Without item-specific structural information, no reactivity or named-reaction suitability can be asserted for this product.

Target Specificity

Not applicable to this product type

• This item is a small-molecule compound, not an antibody or affinity reagent. No antigen/epitope, clone, isotype, or species reactivity information applies.

Item-specific facts (from Product Data)

• No molecular target(s) are disclosed for Antimalarial agent 18. Target engagement and specificity are unknown based on provided information.

General research note

• If target identification is pursued, integrate chemoproteomics, CETSA/DSF, genetic perturbation, and resistant mutant analysis to triangulate potential targets (general guidance; not item-specific).

자주 묻는 질문

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 A1421160, the molecular formula is C23H44NO9P, and the molecular weight is 509.57 g/mol.