INCB-38579 - Moligand™ , Antagonist of H 1 receptor;Antagonist of H 2 receptor;Antagonist of H 3 receptor;Antagonist of H 4 receptor, CAS No.I611057, Antagonist of H 1 receptor;Antagonist of H 2 receptor;Antagonist of H 3 receptor;Antagonist of H 4 receptor
INCB-38579 - Moligand™ , Antagonist of H 1 receptor;Antagonist of H 2 receptor;Antagonist of H 3 receptor;Antagonist of H 4 receptor, CAS No.I611057, Antagonist of H 1 receptor;Antagonist of H 2 receptor;Antagonist of H 3 receptor;Antagonist of H 4 receptor
GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
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Application Protocols
No manufacturer-tested application protocols are provided for INCB-38579. The following are general, non-item-specific protocols for small-molecule screening compounds.
Preparation of DMSO stock (general):
Warm DMSO above its melting point (~20 °C). Weigh compound quickly, dissolve to 10–50 mM. Vortex and, if needed, sonicate briefly. Filter through 0.22 µm PTFE if particulates persist. Record exact concentration.
Serially dilute 3-fold from a top concentration suitable for your target (e.g., 30 µM final), maintain constant DMSO (0.3% v/v). Run in triplicate. Fit to a 4PL model and report IC50 with confidence intervals.
Aggregation control:
Repeat a subset of concentrations with 0.01–0.05% nonionic detergent (Tween-20 or Triton X-100) and compare curves to detect colloidal interference.
Thermal shift (DSF) confirmation:
Mix purified target protein with a fluorescent dye and test compound at multiple concentrations; a reproducible Tm shift supports binding. Include vehicle and known binder controls.
Cell-based viability or reporter assays:
Keep DMSO ≤0.5% v/v. Validate compound cytotoxicity window separately. Use matched vehicle controls and plate-map randomization to mitigate edge effects.
Note: These are general workflows. Optimize for your target and readout. For any publication, capture full methods and lot identifiers.
Biological Roles
Item-specific biological targets, pathways, and modes of action for INCB-38579 are not provided in the Product Data. Accordingly, no definitive biological role can be ascribed here.
General considerations for small-molecule screening compounds:
Potential roles: enzyme modulators (inhibitors/activators), receptor ligands, ion-channel modulators, or pathway probes. Any such activity must be established experimentally for this specific item/lot.
Off-targets and liabilities: Many chemotypes can interact nonspecifically (e.g., colloidal aggregation, redox cycling, metal chelation). Employ aggregation controls, redox counter-screens, and verify activity across orthogonal assay formats.
ADME aspects (general): Solubility, permeability (e.g., PAMPA/Caco-2), and microsomal stability often dictate observed cellular activity. Establish these empirically for this compound before drawing mechanistic conclusions.
Chemical liabilities: If the confirmed structure contains reactive motifs (e.g., Michael acceptors, imines, catechols), scrutinize time-dependence of inhibition and thiol reactivity; none can be asserted here without structure.
Recommendation:
If a literature association exists via the provided CID, confirm the structure and reported bioactivity match this catalog item and perform internal validation (potency curves, selectivity panel, target engagement) under your assay conditions.
Research-use limitation: For research use only. Not for diagnostic or therapeutic applications.
Buffer Applications
This product is not a buffering agent. However, buffer selection can critically affect the performance of small-molecule screening assays.
Practical guidance (general):
Maintain consistent DMSO carryover across all wells (commonly ≤0.5–1% v/v) to avoid buffer-dependent signal shifts.
Choose buffers with minimal interaction with hydrophobic ligands: HEPES or PBS (pH 7.2–7.5) are common. Tris can interact with some metal-dependent enzymes; assess if your target is metalloenzyme.
Additives: 0.01–0.05% Tween-20 or 0.1% BSA can reduce nonspecific binding and aggregation when compatible with the assay.
pH control: If target activity is pH-sensitive, validate compound stability across the working pH range. Avoid buffers containing primary amines for amine-reactive detection chemistries.
Stock dilution recipe (example, general):
Prepare 10 mM compound in DMSO (verify concentration), dilute 1:1000 into assay buffer to achieve 10 µM final with 0.1% DMSO.
Note: No item-specific buffering data are available for INCB-38579. Confirm compatibility empirically with your assay format.
Green Alternatives
While INCB-38579 is a screening compound (not a solvent or bulk reagent), greener choices can be applied to its handling, dissolution, and assay workflows.
Greener solvent choices for stock preparation and dilution (general):
Prefer high-purity DMSO with water co-dilution over DMF/NMP when biological compatibility is needed.
Consider ethanol or water/HP-β-cyclodextrin systems when solubility permits, reducing reliance on dipolar aprotic solvents.
For parallel synthesis or library handling steps (if applicable), evaluate Cyrene or dimethyl isosorbide as alternatives to DMF in certain operations; confirm solubility and assay compatibility.
Comparison (general guidance):
DMF/NMP: Strong solvency; reproductive toxicity concerns; minimize use in bioassays.
DMSO: Broad solvency; comparatively safer profile; widely accepted in screening at ≤1% v/v.
Ethanol: Renewable routes available; more biocompatible; limited solvency for rigid polyaromatics/hydrogen-bonding motifs.
Operational improvements:
Use micro-aliquoting to reduce freeze–thaw and waste.
Apply miniaturized assay formats (384/1536-well) to cut solvent and material usage.
Implement sealed plates to reduce VOC emissions.
Note: No item-specific environmental metrics (biodegradability, E-factor impact) are available. Tailor green strategies to your lab’s solvent policy and the compound’s confirmed solubility profile.
Pharmaceutical Uses
No pharmacopeial status or excipient role is provided for INCB-38579. This item is supplied strictly for research use only and is not intended for human or veterinary use.
Context for discovery workflows (general):
Early discovery: May serve as a screening hit, tool compound, or SAR starting point pending confirmation of identity, purity, and activity.
Preformulation screening: If cellular or in vivo exploratory work is contemplated in research settings, evaluate solubility in biocompatible vehicles (e.g., Captisol, PEG-400/saline, cremophor-free systems) and assess stability—note that such uses are outside clinical development and must comply with institutional guidelines.
CMC considerations (general): Salt form selection, polymorph screening, and stability-indicating methods are standard for tool compounds; none are specified for this item.
Regulatory note:
Not a USP/Ph. Eur. referenced substance. No monograph information is provided. Do not use for manufacturing or clinical applications.
Documentation:
For any publication or patent filing, retain the lot-specific CoA and analytical data to substantiate material identity and quality.
Physical Properties
Item-specific physicochemical properties have not been provided for this product entry.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Melting point (literature/computed): Not available; obtain from CoA or determine experimentally.
Boiling point (literature): Not applicable/unknown for this item; most screening compounds are nonvolatile solids.
Density: Not specified for this item; refer to CoA/Spec Sheet.
LogP/logD, pKa (literature/computed): Not available for this specific entry. If structure is confirmed (e.g., via CID 117072554), compute/log from cheminformatics tools and validate empirically.
Refractive index: Not applicable to solids; if liquid, Not specified for this item; refer to CoA/Spec Sheet.
Solubility: Not specified for this item; refer to CoA/Spec Sheet. General practice is to dissolve small molecules first in anhydrous DMSO (e.g., 10–50 mM stocks), then dilute into assay buffers with controlled DMSO carryover (typically ≤0.5–1% v/v).
General notes for small-molecule screening compounds (literature/practice):
Many drug-like compounds show modest aqueous solubility; cosolvents (DMSO, DMF) or cyclodextrins may be required.
Check for hygroscopicity and polymorphism if handling on an analytical balance.
If UV detection is planned, collect an actual UV–vis spectrum (200–400 nm) of the lot; do not assume a generic UV cutoff.
Always defer to the item CoA/SDS for authoritative physical data.
Quality & Grades
Grade/Purity: Moligand™ (as listed). While item-specific specifications are not provided, Moligand-grade materials are typically intended for medicinal chemistry and screening workflows where identity and purity support SAR exploration and primary/secondary assays.
What Moligand-grade generally implies (general guidance):
Emphasis on structural identity confirmation (e.g., LC–MS) suitable for library use. Exact analytical specs for this item are Not specified; refer to CoA/Spec Sheet.
Purity suitable for discovery research; users commonly perform in-house QC (LC–MS, HPLC purity, and, as needed, 1H NMR) prior to critical studies.
Low levels of residual solvents and inorganic impurities are often targeted for screening compounds, but for this specific item the exact limits are Not specified; refer to CoA/Spec Sheet.
UV/LC considerations (general):
For chromatographic applications, users should verify UV background and retention. If the compound is intended for bioassays, a secondary purity check in the final assay solvent system is recommended to confirm absence of co-eluting UV-active impurities.
Stabilizers/additives:
Not specified for this item; refer to CoA/Spec Sheet. If present, note any salts, counterions, or stabilizers as they can affect mass and solubility.
Best practice:
Archive the lot-specific CoA and, where possible, re-confirm identity post-reception to ensure consistent SAR and reproducibility.
Reaction & Applications
This product is supplied as a research small molecule for screening and discovery, not as a general synthetic reagent. Consequently, classic reagent-style applications (e.g., oxidant, coupling partner) are not applicable.
Discovery applications (general best practice):
Primary/secondary screening: Prepare accurately quantified DMSO stocks, verify purity by LC–MS in the same solvent system used for assay, and include matched vehicle controls.
Orthogonal confirmation: If a biochemical inhibition signal is observed, confirm with an orthogonal assay format (e.g., thermal shift/DSF, SPR, MST) to reduce artifact risk.
Counter-screens: Include assays to detect redox cycling, PAINS-like behavior, or aggregation (e.g., detergent sensitivity test, redox probe controls). Avoid overinterpretation without profiling.
Cell-based assays: Titrate DMSO below cytotoxic thresholds (commonly ≤0.5% v/v). Confirm intracellular target engagement via CETSA or reporter assays if applicable.
Analytical tips:
Quantify actual concentration by UV–vis only if the molar absorptivity is known for this item. Otherwise, gravimetric preparation and LC–MS calibration are preferred.
Monitor stability in storage solvent (DMSO) over time using LC–MS; consider light and air sensitivity testing.
Note: No manufacturer-provided target or mechanism is listed for INCB-38579. Any target association should be independently verified from primary literature and confirmed experimentally.
Reaction Conditions
Not typically applicable. INCB-38579 is supplied as a screening compound, not as a reagent to drive chemical reactions. As such, standard “reaction conditions” (solvent, base, catalyst, temperature) are not defined for this item.
Assay handling conditions (general guidance):
Stock solutions: Prepare in anhydrous DMSO (e.g., 10–50 mM), store in aliquots to avoid repeated freeze–thaw. Verify concentration by LC–UV/LC–MS if possible.
Assay use: Maintain final DMSO at ≤0.5–1% v/v. Include vehicle controls and, when possible, a well-characterized positive control.
Stability checks: Monitor for degradation in DMSO and in assay buffers over relevant timeframes (2–48 h) at room temperature or 37 °C, as appropriate for the assay.
Light/oxygen sensitivity: If unknown, handle under low light and minimize air exposure until stability is verified.
If synthetic manipulation is intended (outside typical use):
Establish the confirmed structure and run small-scale stability screens to identify compatible conditions before committing to any transformation. No literature conditions specific to INCB-38579 are provided here.
Safety & Handling
GHS and hazard statements are not specified for this item in the Product Data. Treat as a research chemical of unknown hazards and follow prudent laboratory practices. For definitive guidance, consult the product SDS.
GHS Classification/Pictograms: Not specified for this item; refer to SDS.
Signal Word / H-Statements: Not specified for this item; refer to SDS.
Recommended PPE and controls (general best practice):
Wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., disposable nitrile). Use a certified chemical fume hood during weighing, dissolution, and transfers.
Avoid inhalation of dust/aerosols and skin contact. Use microspatulas and antistatic tools for fine powders.
Incompatibilities and reactivity (general):
Without structural information, avoid strong oxidizers and strong acids/bases until stability is known. Keep away from ignition sources if the compound is an organic solid.
Avoid prolonged exposure to moisture, heat, and light until stability is verified.
First-aid overview (general):
Inhalation: Move to fresh air; seek medical attention if symptoms persist.
Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical advice if irritation persists.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Waste disposal: Collect as organic solid/solution waste per institutional and regulatory requirements.
Note: For research use only. Not for diagnostic or therapeutic use.
Solvent Selection
Given the lack of item-specific solubility data, select solvents based on standard practices for small-molecule screening compounds.
Primary dissolution (general guidance):
DMSO (anhydrous) is the default for preparing concentrated stocks (e.g., 10–50 mM). Filter if particulate remains. Record actual achieved concentration.
If DMSO is inadequate, consider DMF or NMP for initial dissolution, followed by dilution into assay-compatible media with controlled final cosolvent (often ≤0.5–1% v/v).
Aqueous workup/dilution:
Dilute DMSO stocks into assay buffer (e.g., PBS, HEPES, Tris) containing 0.01–0.1% nonionic surfactant if aggregation is suspected. Maintain consistent DMSO across controls and treatments.
Alternative solubilization strategies (general):
Additives: 2-hydroxypropyl-β-cyclodextrin (HP-β-CD), small amounts of PEG-400, or ethanol as co-solvent with DMSO.
pH adjustment: If the compound is ionizable (unknown here), mildly acidic/basic buffers can improve solubility; verify stability.
Small comparison (general):
DMSO: Broad solvency, assay-friendly at ≤1% v/v; high freezing point requires warm room handling.
DMF/NMP: Strong solvents but less favored in biology; confirm cell compatibility if used.
Ethanol: More biocompatible but lower solvency for many heteroaromatics.
Note: Exact solubility, pKa, and logD for INCB-38579 are Not specified for this item; confirm empirically with your lot.
Storage & Reconstitution
Storage Conditions: Room temperature (as provided in Product Data). Until stability is confirmed, store desiccated, protected from light, and tightly capped. For long-term storage, many users prefer 2–8 °C as a conservative measure for small molecules; however, item-specific guidance beyond room temperature is Not specified for this item; refer to CoA/Spec Sheet.
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Reconstitution (general guidance for screening compounds):
Solvent: Use anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM). If insoluble, consider DMF/NMP or co-solvent systems; verify assay compatibility.
Procedure: Warm DMSO if solidified; weigh quickly; dissolve with vortex/brief sonication; filter through 0.22 µm PTFE if needed. Document exact concentration.
Aliquoting: Dispense single-use aliquots (e.g., in low-bind tubes or pre-plated) to avoid freeze–thaw cycles and moisture ingress.
Handling: Minimize exposure to ambient humidity; recap promptly. Use inert atmosphere if the compound proves air/moisture sensitive (not established for this item).
Stability and monitoring:
Stability data: Not specified for this item; refer to CoA/Spec Sheet.
Periodically check for precipitation, color change, or degradation by LC–MS/LC–UV during storage/use.
Research Use Note: For research use only.
Structure & Identity
Overview: INCB-38579 is listed as a small-molecule screening compound (Moligand grade). Item-specific structural identifiers are largely not provided in the Product Data.
Product Name: INCB-38579 (SKU: I611057)
CAS: I611057 (as provided; not a standard CAS format)
PubChem CID: 117072554 (catalog reference)
InChIKey: 173930 (as provided; not a standard-length InChIKey)
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 provided structure, specific functional groups, ring systems, or stereochemistry cannot be confirmed for this lot/item.
If using external databases (e.g., via the provided CID), verify identity against the Certificate of Analysis (CoA) to ensure alignment with this catalog entry.
2D structure description (general):
Not available for this item. If the structure is confirmed from the CoA or an authoritative database, document heteroatoms, aromaticity, H-bond donors/acceptors, and any stereocenters for your records and method development.
Identity best practices:
Cross-check supplier SKU, lot number, and any spectral data (NMR, LC–MS) from the CoA.
For screening collections, confirmatory LC–MS and purity assessment before critical assays are recommended.
Synthetic Utility
INCB-38579 is offered as a finished small molecule for screening rather than as a building block or reagent; therefore, synthetic utility in the sense of functional-group transformations is not typically applicable.
If structural details are confirmed (general guidance):
Retrosynthesis: Identify key pharmaceutically relevant motifs (e.g., heteroaromatic cores, amide/urea linkages). Map disconnections that could allow analogue synthesis for SAR.
Late-stage diversification: If the scaffold contains halogens, aryl C–H sites, or pendant amines/alcohols, consider late-stage cross-coupling (Suzuki, Buchwald–Hartwig), amide coupling, or sulfonylation to rapidly explore SAR. These are general strategies and not specific to this item without structure confirmation.
Isotope or tag incorporation: Stable isotope labeling (2H/13C/15N) or bioorthogonal handles (alkynes, azides) can enable PK/target-engagement studies, pending compatibility with the confirmed scaffold.
Caveat:
No item-specific functional groups, protecting-group strategies, or reactivity data are provided. Avoid assuming reactivity or stability profiles without authenticated structure and analytical data.
Recommendation:
Use the supplied material for biological evaluation. For synthetic campaigns, derive a structure-confirmed route and procure starting materials/building blocks separately.
Target Specificity
Target, selectivity profile, and mechanism of action are not provided for INCB-38579 in the Product Data.
Guidance for users (general):
If a target association is identified via independent literature or database search (e.g., using CID 117072554), confirm that the structure and salt form match this catalog item and validate activity under your assay conditions.
Perform selectivity profiling across related target families (kinase panels, GPCR counterscreens, etc.) to establish on-target vs. off-target activity.
Use orthogonal readouts (biochemical vs. biophysical vs. cellular) to substantiate specificity and mitigate assay interference or aggregation artifacts.
Note: Any claims of target specificity must be supported by your internal data and/or primary literature. Aladdin provides this compound for research use only without represented biological target.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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