GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.≥99%
MI-503 MI-503 is a potent and selective Menin-MLL inhibitor with IC50 of 14.7 nM. It shows pronounced growth suppressive activity in a panel of human MLL leukemia cell lines(GI50 at 250 nM-570 nM range), but only a minimal effect in human leukemia cell lines without MLL translocations.
Targets
Menin-MLL interaction (Cell-free assay) 14.7 nM
In vitro
Treatment of murine bone marrow cells (BMC) transformed with the MLL-AF9 oncogene with MI-503 results in substantial growth inhibition, with half-maximal growth inhibitory concentration (GI50) values of 0.22 μM, measured after 7 days of treatment. The cell growth inhibitory effect of MI-503 is time-dependent, with a pronounced effect achieved after 7-10 days of treatment. MI-503 is also very effective in inducing differentiation of MLL leukemia cells and substantially increases expression of CD11b, a myeloid differentiation marker. These effects are accompanied by reduced c-kit (CD117) expression, a marker associated with leukemia stem cells (LSCs). Treatment with sub-micromolar concentrations of MI-503 also leads to markedly reduced expression of Hoxa9 and Meis1, downstream targets of MLL fusion proteins substantially upregulated in MLL leukemias.
In vivo
MI-503 has very favorable drug-like properties, including metabolic stability and pharmacokinetic profile in mice. It blocks hematologic tumors in vivo and reduces MLL leukemia tumor burden. MI-503 achieves high level in peripheral blood following a single intravenous or oral dose, while also showing high oral bioavailability (~75%). Prolonged treatment (38 days) with MI-503 induces no toxicity in mice as reflected by no alterations in the body weight and no morphological changes in liver and kidney tissues. MI-503 could substantially improve survival of MLL leukemic mice and does not impair normal hematopoiesis in vivo.
Cell Research(from reference)
Cell lines：MV4;11 human leukemia cells expressing MLL-AF4
MI-503 is a potent and selective Menin-MLL inhibitor with IC50 of 14.7 nM. It shows pronounced growth suppressive activity in a panel of human MLL leukemia cell lines(GI50 at 250 nM-570 nM range), but only a minimal effect in human leukemia cell lines wit
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
External Descriptors
Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Solubility (25°C) In vitro DMSO: 100 mg/mL warmed with 50ºC Water: bath (177.1 mM); Ethanol: 3 mg/mL warmed with 50ºC Water: bath (5.31 mM); Water: Insoluble;
Molecular Weight
564.600 g/mol
XLogP3
5.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
10
Rotatable Bond Count
7
Exact Mass
564.203 Da
Monoisotopic Mass
564.203 Da
Topological Polar Surface Area
127.000 Ų
Heavy Atom Count
40
Formal Charge
0
Complexity
908.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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Application Protocols
Per catalog policy, this section only includes protocols explicitly provided in the Product Data. For this item, no tested applications or recommended conditions are supplied.
Tested applications: Not specified for this item; refer to CoA/Spec Sheet.
Recommended dilutions/concentrations: Not specified for this item; refer to CoA/Spec Sheet.
Positive control systems: Not specified for this item; refer to CoA/Spec Sheet.
For developing your own assays, consult internal SOPs and the peer-reviewed literature. Validate conditions (vehicle %, incubation time, temperature, buffer composition) empirically for your specific experimental system.
Biological Roles
Context for research ligands (general background; no therapeutic claims, not item-specific):
Chemical probes like MI-503 are commonly employed to investigate protein–ligand interactions, pathway dependencies, and phenotypic outcomes in cellular models. Their role is to provide reversible, titratable modulation of a molecular target to generate testable hypotheses in chemical biology.
Assay domains: Ligands of this class are used across biochemical binding assays (SPR/ITC/FP/TR-FRET), biophysical target engagement (e.g., CETSA, DARTS), and cellular readouts (reporter assays, imaging, omics endpoints) to delineate mechanisms of action.
Selectivity profiling: A critical biological role of such molecules is to serve as starting points for selectivity and off-target assessment, using counterscreens and profiling panels (e.g., kinome or proteome-wide binding where applicable). This supports rigorous interpretation of phenotypic data.
Probe qualification: Good practice includes confirming on-target effects using multiple orthogonal tools (structurally distinct ligands, genetic knockdown/knockout) to mitigate chemical probe bias. Titration experiments (EC50/IC50 determination) and time-course studies help establish causality and kinetics.
Data integrity: Control for confounders such as aggregation, redox activity, autofluorescence, and membrane integrity effects. Employ appropriate vehicle controls and maximum tolerated solvent percentages.
Item-specific biological targets, potency, or mode of action for this catalog entry are not provided in the Product Data; consult the CoA/Spec Sheet and primary literature for details relevant to your research question.
Buffer Applications
This item is a small-molecule research ligand rather than a buffering agent. As such, it does not serve as a pH buffer component.
Practical handling notes (general; not item-specific):
Prepare concentrated DMSO stocks and dilute into your assay buffer (e.g., HEPES, PBS) with rapid mixing to minimize precipitation; maintain final DMSO at the lowest percentage compatible with the assay.
Filter buffers (0.22 µm) to remove particulates prior to ligand addition; consider adding 0.01–0.05% non-ionic surfactant when aggregation is suspected, ensuring assay compatibility.
Verify that buffer components do not chemically react with the ligand or interfere with detection (e.g., avoid high concentrations of primary amines in certain fluorescence assays).
Item-specific buffer compatibility and solubility are not provided in the Product Data; perform a small-scale solubility and stability check under your assay conditions.
Green Alternatives
Green chemistry considerations for MI-503 focus on how it is handled and formulated rather than on substituting the molecule itself (as it serves as a specific research ligand rather than a general-purpose reagent).
Solvent footprint: Prefer greener, lower-toxicity solvents for analytical/sample prep where feasible (e.g., ethanol/water mixtures for some analytics). For biological assays, DMSO remains common; minimize volumes and final assay concentrations to reduce environmental load.
Process minimization: Use microscale assay formats (384/1536-well plates) to reduce solvent consumption and waste.
Waste segregation: Collect DMSO- and DMF-containing waste streams separately to facilitate compliant disposal; avoid chlorinated solvents in routine handling when not required.
Energy use: Store at the specified temperature (−20°C) but thaw only what is necessary. Consolidate freeze–thaw cycles by aliquoting to reduce cumulative energy and material waste.
Illustrative comparison (general; not item-specific):
Greener practice: Prepare single-use aliquots, miniaturize assays, and validate the lowest functional DMSO content (e.g., 0.1–0.5%) compatible with assay performance.
Note: Because MI-503 is a specific tool compound, there is no true “green substitute” for its biological function. Green impact is best addressed through solvent choice, scale minimization, and efficient experimental design.
Pharmaceutical Uses
No pharmacopeial status, excipient role, or manufacturing/formulation uses are provided in the Product Data for this item. The product is designated For research use only and is intended for laboratory studies.
General context for research ligands (not item-specific; no therapeutic claims):
Such compounds are often used in preclinical discovery settings as tool molecules to interrogate biological mechanisms, support target validation, and generate structure–activity relationships (SAR).
When used in formulation research, typical vehicles for in vivo exploratory studies include aqueous buffers with co-solvent systems (e.g., DMSO/PEG/saline) tailored to the compound’s solubility and stability; however, any in vivo use must follow institutional approvals and is outside the scope of this catalog description.
No statements are made here regarding safety, efficacy, or suitability for human or veterinary use.
For any application beyond routine in vitro laboratory research, consult your institutional review processes and the product-specific CoA/SDS.
Physical Properties
Item-specific physical constants were not provided in the Product Data.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
Boiling point (BP): Not applicable/rarely reported for screening ligands; 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(s): Not specified for this item; refer to CoA/Spec Sheet.
UV/Vis characteristics: Not specified for this item; refer to CoA/Spec Sheet.
General considerations for small-molecule ligands (literature/good practice; not item-specific):
Many screening ligands are readily soluble in DMSO (e.g., 10–50 mM stock solutions) and can be diluted into aqueous assay buffers with ≤0.5–1.0% final DMSO to minimize assay interference.
If poor aqueous solubility is encountered, co-solvent strategies (DMSO→buffer titration, addition of 0.01–0.1% non-ionic surfactant, pH adjustment when ionizable groups are present) may improve performance; verify compatibility with your assay.
Record the extinction coefficient only if an authentic spectrum (and concentration by weight or quantitative NMR) is established for the exact batch. Avoid assuming chromophores without structural confirmation.
Always consult the item’s CoA/Spec Sheet for definitive property data applicable to the batch you receive.
Quality & Grades
Grade/Purity: Moligand™ (as listed in Product Data)
What Moligand™ typically implies (general description; verify with CoA for this item):
The designation indicates a small-molecule ligand suitable for discovery workflows (e.g., biochemical/biophysical screening, target engagement assays, and cellular tool-compound studies). It generally emphasizes identity, purity, and performance consistent with research ligand use.
Expect documentation such as HPLC purity, LC–MS/HRMS identity confirmation, and possibly moisture/volatile content checks, though specific thresholds for this item are not provided here.
Item-specific notes:
Purity specification, residual solvents, water/peroxide content, metal limits, and UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Stabilizers or counter-ions: Not specified for this item; refer to CoA/Spec Sheet.
Practical QA recommendations:
Request and review the batch CoA to confirm assay-relevant purity (e.g., single major component by HPLC with impurity profile) and identity (MS/NMR).
For screening campaigns, qualify a received lot by reproducing a known orthogonal readout (e.g., LC–MS purity check and a biophysical binding assessment) before large-scale use.
If your workflow is sensitive to trace impurities (HTS, SPR, NMR, MS-based assays), consider performing an in-house polish (e.g., preparative HPLC) only if permitted by your SOPs, followed by re-characterization.
Reaction & Applications
This product is cataloged as a small-molecule research ligand (Moligand™) rather than a classical synthetic reagent. Consequently, its primary applications are in discovery biology and chemical biology, not as a stoichiometric reagent or catalyst.
Use contexts (general, non-item-specific):
Target engagement studies: Employed in biochemical or biophysical assays (e.g., fluorescence polarization, TR-FRET, SPR, ITC) to probe ligand–protein interactions.
Cell-based assays: Used as a tool compound to explore cellular pathway modulation; dosing regimens and exposure times require optimization per cell line and readout.
Mechanistic interrogation: Structure–activity relationship (SAR) exploration alongside analogs to delineate pharmacophores and binding determinants.
Orthogonal validation: Cross-validation of activity with multiple assay formats to control for assay artifacts (e.g., aggregation, redox cycling, or fluorescence interference).
Not typically applicable:
It is not commonly used in named organic reactions (e.g., Grignard, cross-coupling) or as a building block.
Practical tips (general):
Maintain dimethyl sulfoxide (DMSO) stocks under inert atmosphere and at low temperature to limit degradation.
Implement colloidal aggregation controls (detergent add-ins, dynamic light scattering) and redox interference checks (addition of catalase/HRP as needed) during screening.
Confirm dose-response reproducibility across independent preparations and fresh dilutions to exclude solvent or handling artifacts.
Reaction Conditions
Not applicable in the conventional sense: this catalog item is a research ligand rather than a reagent or catalyst for organic synthesis.
General laboratory considerations (not item-specific):
If using the molecule in biophysical or biochemical assays, optimize conditions such as buffer composition, temperature (often 4–25°C for binding assays; 37°C for many cellular assays), incubation time, and final solvent percentage (DMSO typically ≤0.5–1.0%).
For analytical method development (LC–MS/UPLC), common mobile phases include H2O/ACN or H2O/MeOH with 0.1% formic acid or ammonium formate/acetate buffers; column temperature 30–45°C is typical.
Because no item-specific reactivity or catalytic activity is claimed in the Product Data, detailed synthetic reaction conditions are not provided here.
Safety & Handling
Safety information explicitly provided for this catalog entry is limited.
GHS Classification: Not specified for this item; refer to SDS.
Signal Word: Not specified for this item; refer to SDS.
Hazard Statements (H-): Not specified for this item; refer to SDS.
Pictograms: Not specified for this item; refer to SDS.
General laboratory guidance for small-molecule research ligands (supplemental; consult SDS as the authoritative source):
PPE: Wear lab coat, appropriate chemical-resistant gloves (e.g., nitrile), safety glasses or face shield, and use in a chemical fume hood to avoid inhalation of dust/aerosols.
Hygiene: Avoid ingestion, inhalation, skin/eye contact. Wash thoroughly after handling. Do not pipette by mouth.
Handling: Minimize exposure to ambient moisture and light if the compound’s stability is unknown. Open vials at room temperature only after allowing to equilibrate from cold storage to avoid condensation.
Incompatibilities: Unknown for this specific item; as a precaution, segregate from strong oxidizers and acids/bases until compatibility is known.
First aid (overview): In case of eye/skin contact, rinse with water for at least 15 minutes and remove contaminated clothing; seek medical attention per SDS guidance. If inhaled, move to fresh air. If swallowed, rinse mouth; do not induce vomiting unless directed by medical personnel.
Waste: Collect in organic-chemical waste streams compliant with your institutional and regulatory requirements.
Always defer to the product-specific SDS for classifications, exposure limits, spill response, and firefighting measures.
Solvent Selection
Item-specific solubility data are not provided in the Product Data. The guidance below is general best practice for small-molecule research ligands and should be validated experimentally for this item.
Primary stock solvent (typical): Anhydrous DMSO is commonly used to prepare 10–50 mM stocks for hydrophobic ligands. This is general guidance, not an item-specific specification.
Secondary solvents: If DMSO is unsuitable, consider DMF or aqueous buffer with co-solvent. For analytical sample prep, ACN/H2O with 0.1% FA is often compatible with LC–MS.
Miscibility & polarity considerations (general):
DMSO: highly polar, miscible with water; excellent for dissolving many aromatic/heteroaromatic ligands.
DMF: polar aprotic; good for non-ionic species but less preferred for biological assays.
ACN/MeOH: suitable for analytical dilutions; check assay tolerance.
Order of operations: Dissolve the weighed solid in a minimal volume of dry DMSO, then titrate into the final aqueous buffer with vigorous mixing to prevent precipitation; keep final DMSO low (≤0.5–1.0%) if required by the assay.
Compatibility checks: Verify that the solvent system does not interfere with the detection modality (e.g., avoid high DMSO in fluorescence assays; confirm no UV overlap if using absorbance detection).
Note: For the precise solubility limit, pKa/logD, or extinction coefficient of MI-503, consult the item’s CoA/Spec Sheet or determine experimentally under your assay conditions.
Storage & Reconstitution
Storage Conditions (from Product Data): Store at −20°C.
Additional practical guidance (general good practice; not item-specific):
Light and moisture protection: Keep tightly closed in the original container. If stability to light/moisture is uncertain, store under inert gas (e.g., nitrogen) and protect from light.
Aliquoting: Upon first opening, prepare single-use aliquots (e.g., DMSO solutions) to avoid repeated freeze–thaw. Clearly label concentration, solvent, and date.
Freeze–thaw management: Minimize cycles; thaw at room temperature and vortex briefly to ensure homogeneity. Inspect for precipitation or color change before use.
Reconstitution: Item-specific solvent recommendations are not provided. If needed, dissolve in anhydrous DMSO to prepare a concentrated stock; filter-sterilize solutions destined for cell culture (0.22 µm) if compatible.
Solution stability: Not specified for this item; determine empirically by LC–MS/HPLC after defined storage intervals (e.g., 1–4 weeks at −20°C for DMSO stocks) and avoid prolonged exposure at room temperature.
Always consult the batch CoA/Spec Sheet for any available solubility, stability, or reconstitution notes specific to the lot you receive. The product is designated For research use only.
Structure & Identity
Brief overview: MI-503 is listed as a Moligand-grade small-molecule research ligand. Item-specific structural identifiers provided in the Product Data are limited.
Product Name: MI-503 (SKU: M413842)
CAS: 1857417-13-0
PubChem CID: 91667931
InChIKey (as provided): 61540 (note: truncated/non-standard format in Product Data; consult CoA/SDS for the complete identifier)
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 chemistry guidance):
MI-503 is widely referenced in the literature as a small-molecule ligand used in target engagement and screening contexts. Without item-specific structure disclosure here, functional groups and ring systems cannot be authoritatively enumerated for this catalog entry.
2D description (general): Small-molecule research ligands of this class commonly comprise one or more aromatic/heteroaromatic rings connected by linker motifs and bearing H-bond donor/acceptor groups to support protein binding. This is general background and not item-specific.
Identity confirmation (practical notes):
For definitive identity, rely on the batch-specific Certificate of Analysis (CoA) for NMR, HRMS/LC–MS, HPLC purity, and complete line notations (InChI/SMILES).
Cross-reference CAS and CID with internal informatics systems; where discrepancies (e.g., shortened InChIKey) occur, prioritize CoA/SDS and batch documents.
If required by your QA workflow, perform orthogonal ID tests (LC–MS retention + exact mass, and 1H NMR fingerprint in a standard solvent such as DMSO-d6 or CDCl3).
Synthetic Utility
MI-503 is offered as a research ligand (Moligand™) and is not positioned as a synthetic building block or reagent in typical organic synthesis workflows.
Not a general coupling partner: Without item-specific functional group information, this compound should not be presumed competent for cross-coupling, condensation, or protection–deprotection strategies.
Analytical reference standard (general): Researchers may employ such ligands as analytical standards (LC–MS retention, MS/MS spectral libraries) or for method development; verify stability and purity with the batch CoA.
Derivative preparation: If analog generation is desired, ensure full structural disclosure and IP freedom-to-operate. Any semisynthetic modifications should be performed only with a confirmed structure and under appropriate synthetic SOPs.
Given the absence of disclosed structural features in the Product Data, no item-specific reactivity profile, named-reaction suitability, or retrosynthetic value can be responsibly provided. Refer to the CoA/Spec Sheet for structure and to the primary literature for any reported synthetic derivatizations.
Target Specificity
Only information from Product Data may be listed here.
Item-specific target, binding partner, epitope, clone, isotype, or selectivity profile: Not specified for this item; refer to CoA/Spec Sheet.
Note: This section intentionally omits literature-derived target claims to comply with catalog policy. Consult primary literature and your internal validation data for target assignment and selectivity profiling as needed.
Frequently Asked Questions
What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
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 ?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 1857417-13-0, the molecular formula is C28H27F3N8S, and the molecular weight is 564.63 g/mol. InChIKey DETOMBLLEOZTMZ-UHFFFAOYSA-N.
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.
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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A2309147