GRAU & PUREZAMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
iodothyronine
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.
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Application Protocols
No tested applications are listed for this product. The following generic protocols are provided for handling small-molecule library members in research settings.
Item-specific: Not specified for this item; refer to CoA/Spec Sheet for any lot-specific handling notes.
General protocols (literature-based):
Stock preparation: Weigh compound quickly (to minimize moisture uptake). Prepare concentrated stock solutions in dry DMSO (e.g., 10–50 mM typical for screening) and vortex/sonicate to dissolve fully.
Aliquoting: Dispense into low-bind tubes or plates, seal tightly (heat- or adhesive-sealed), and, if storing solutions, protect from light.
Working solutions: Dilute stocks into assay buffer immediately before use to the final test concentrations, maintaining solvent carryover within assay tolerance.
Quality checks: Verify absence of precipitation by visual inspection or nephelometry. Confirm concentration by UV–Vis when chromophore allows or by quantitative NMR/LC where feasible.
Plate handling: Equilibrate sealed plates to room temperature before unsealing to prevent condensation. Mix thoroughly after dosing.
For any specialized application (e.g., biophysical binding, cell assays), validate solvent matrix, DMSO tolerance, and dosing sequence in a pilot run.
Biological Roles
No biological function, target class, or pathway association is provided for this item.
Item-specific (from Product Data):
Biological roles and mechanisms: Not specified for this item; refer to CoA/Spec Sheet.
General guidance:
For library compounds used in target-based or phenotypic screening, any inferred biological role must be derived from experimental data. Avoid overinterpreting preliminary hits without orthogonal confirmation and counterscreens.
If a target is proposed later, characterize binding/engagement using multiple methods (e.g., enzymology, ITC, SPR, CETSA, NanoBRET) and assess selectivity across relevant off-target panels.
Note: This product is for research use only and is not intended for any clinical or diagnostic application.
Buffer Applications
This item is not a buffering agent. However, library compounds are frequently handled in buffers during assays. The following are general practices for introducing small-molecule stocks into aqueous systems.
Item-specific: No buffer system or pH preference is provided; refer to assay requirements and the CoA.
General preparation guidance (literature-based):
Prepare concentrated stocks in DMSO or another suitable organic solvent. Add the stock last into vigorously mixed buffer to minimize local supersaturation and precipitation.
Typical DMSO carryover in biochemical assays is kept low (often ≤0.1–1% v/v) to avoid solvent effects; verify tolerance for your assay format.
For poorly soluble compounds, consider co-solvent blends (e.g., DMSO/PEG-400/water) or include non-ionic surfactants if compatible with the readout.
Filter aqueous working solutions through 0.2–0.45 µm membranes to remove particles that can scatter light or bind nonspecifically.
Monitor pH pre- and post-dosing; some compounds can subtly acidify/basicify media or introduce buffering capacity, impacting enzyme or cell assays.
Green Alternatives
When preparing stocks and working solutions for screening, solvent and process choices significantly affect environmental footprint. With structure unspecified, consider greener dissolution strategies where feasible.
Principles (general):
Prefer solvents with lower toxicity and better environmental scores while maintaining assay compatibility and compound integrity.
Minimize solvent volumes via higher-concentration stocks and accurate microdispensing.
Comparison of common stock solvents (general, literature-based):
| Option | Greenness/Notes | Trade-offs |
|---|---|---|
| DMSO | Widely used; low volatility; good solvency; acceptable in many assays at low % | Hygroscopic; viscous; not readily biodegradable |
| PEG-400 | Low volatility; favorable safety; can enable high-conc stocks | High viscosity; limited compatibility with some assays/detectors |
| Cyrene (dihydrolevoglucosenone) | Bio-based; good for some polar organics | Limited miscibility with water; assay experience less mature |
| 2-MeTHF | Bio-derived ether; good for hydrophobic solutes | Poor water miscibility; potential peroxide formation on long storage |
Operational tips:
Use 96/384-well plate formats and sealed storage to reduce evaporative losses.
Avoid chlorinated solvents for routine handling unless strictly necessary for solubility; if used, ensure appropriate capture and disposal.
Validate assay readouts with the chosen solvent matrix to exclude solvent artifacts.
Pharmaceutical Uses
No excipient role, dosage form use, or pharmacopeial status is provided for this item.
Item-specific: Not specified for this item; refer to CoA/Spec Sheet.
General note:
As a Moligand™ library compound intended for research, this material is not supplied for human or veterinary use, manufacturing, or clinical applications. It is not presented as USP/EP/JP grade, and no GMP documentation is implied.
If insights from research suggest future development, separate sourcing under appropriate quality systems and regulatory frameworks will be required.
Physical Properties
Item-specific data are not provided in the listing; treat properties as unknown until confirmed by CoA and in-house testing.
Item-specific (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.
Solubility: Not specified for this item; refer to CoA/Spec Sheet.
LogP, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
Practical approach for unknown small molecules (general guidance, literature-based):
Begin with a micro-scale solubility screen in DMSO, DMF, MeOH, EtOH, ACN, and water (with surfactant if assay-compatible). Sonication and gentle warming (≤40 °C) can assist dissolution; avoid prolonged heating without stability data.
If crystalline, attempt a quick melting range in capillary mode to estimate MP; this also flags polymorphism or decomposition on melting.
For hygroscopic or deliquescent materials, mass drift during weighing indicates water uptake; consider Karl Fischer only if permitted and safe.
Record any color, form (amorphous/crystalline), and odor qualitatively to support future QC. Measure UV–Vis only after confirming there is no strong baseline scatter from undissolved solids.
Quality and Grades
Understanding the supplied grade helps align the material with fit-for-purpose use.
Item-specific (from Product Data):
Grade/Purity: Moligand™
What Moligand™ typically indicates (general description of library-grade materials; consult the CoA for this item):
Intended for research screening and discovery, such as biochemical, biophysical, and cell-based assays.
Identity confirmation is commonly supported by spectroscopic/chromatographic methods (e.g., MS, NMR, LC). Exact test set and limits are lot-specific; consult the CoA/Spec Sheet.
Purity thresholds for library compounds vary by supplier and campaign; specific numeric purity for this item is not listed. Do not assume HPLC, GC, or elemental specifications without the CoA.
Packaging may be as a neat solid, neat oil, or pre-dissolved aliquots (e.g., in DMSO). The current listing does not specify the presentation; verify before planning workflows.
Practical guidance:
For screening: verify solubility in assay media at intended concentrations, and filter or centrifuge to remove particulates that could confound readouts.
For synthetic use: perform incoming QC (LC–MS, NMR) to confirm identity/purity meets your threshold; re-purify if needed.
For analytical trace work or regulated uses: this grade is not intended for clinical, diagnostic, or GMP applications.
Reaction and Applications
The listing positions T₂ as a Moligand™ library compound rather than a defined synthetic reagent. Without structural information, reaction-specific applications cannot be assigned.
Item-specific (from Product Data):
Manufacturer Applications: Not specified in the listing; no reaction classes are indicated.
General research applications for library compounds:
Primary: Chemical probe and hit discovery workflows (biochemical/biophysical screening, cellular phenotypic assays) where structural diversity is prioritized.
If the compound later serves as a synthetic intermediate, establish identity and functional group tolerance prior to planning transformations.
Practical notes:
Always confirm stability under assay conditions (buffer components, pH, light, temperature). Track potential reactive motifs (e.g., Michael acceptors, aldehydes) once structure is known to avoid pan-assay interference.
Employ parallel solubility/stability microtests before committing expensive assay plates. Archive raw data with lot numbers for reproducibility.
Reaction Conditions
No reaction conditions are specified for this product and, lacking a defined structure, none can be recommended specifically.
Item-specific: Not specified for this item; refer to CoA/Spec Sheet if synthetic guidance is provided for subsequent derivatizations.
General laboratory guidance (literature-based) when exploring reactions of an unknown or newly sourced small molecule:
Establish solvent/stability windows first (acidic, neutral, basic; protic vs aprotic) with micro-scale tests before catalytic or high-temperature runs.
Use inert atmosphere and anhydrous solvents by default for moisture/air-sensitive transformations; escalate only after stability is proven.
Start with mild conditions and catalytic loadings on 10–50 mg scale, tracking by LC–MS. Iterate to more forcing conditions if needed.
Document mass balance (desired product, recovered starting material, degradants) to refine mechanism hypotheses and protect group needs.
All numerical conditions, yields, or catalysts would be speculative without structure and are therefore intentionally omitted.
Safety and Handling
No GHS classification or hazard statements are supplied in the current Product Data. Handle conservatively as an unknown small-molecule research chemical.
Item-specific (from Product Data):
GHS Classification: Not specified for this item; refer to SDS.
Signal Word: Not specified for this item; refer to SDS.
H-Statements: Not specified for this item; refer to SDS.
Pictograms: Not specified for this item; refer to SDS.
General precautions (good laboratory practice):
Use in a chemical fume hood. Wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile); change gloves frequently.
Avoid inhalation of dust/aerosols and contact with skin/eyes. Prevent environmental release.
Incompatibilities cannot be predicted without structure. As a default, segregate from strong oxidizers, strong acids/bases, and reducing agents until specific data are available.
First aid (overview; defer to SDS): If on skin/eyes, rinse with water for ≥15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth. Seek medical attention for any exposure concerns.
Fire safety: For organic solids/liquids, CO2, dry chemical, or foam are typical; avoid high-pressure water streams that can spread material. Assume combustion may form COx/NOx/other toxic fumes.
Waste: Collect as hazardous organic waste; do not drain-dispose. Follow institutional and local regulations.
Always consult the official SDS for the shipped lot for authoritative safety information.
Solvent Selection
Without a defined structure, solvent choice should follow a tiered, empirical strategy focused on assay compatibility and sample integrity.
Item-specific: No solvent preferences or solubility data are provided for this item; refer to CoA/Spec Sheet.
General workflow (literature-based):
Primary stock solvent: DMSO is the typical first choice for diverse small molecules due to broad solvency and assay compatibility at low carryover.
Secondary options if DMSO solubility is poor or if the assay restricts DMSO: DMF, NMP, MeOH, EtOH, ACN. For nonpolar chemotypes, EtOAc, 2-MeTHF, toluene, or CPME may help; for polar/ionic species, water with co-solvent or minimal base/acid can assist.
Transition to aqueous systems: Dilute concentrated organic stocks into buffer last, under vortexing, to minimize precipitation. Consider adding non-ionic surfactants if compatible with the assay.
Filtration: Use 0.2–0.45 µm PTFE or nylon syringe filters for organic stocks; PVDF is broadly compatible. Avoid cellulose with strong solvents.
Quick comparison (general):
DMSO: Maximal solvency; broadly biocompatible at low v/v; high viscosity; hygroscopic.
ACN/MeOH: Lower viscosity; good for analytics and some assays; higher volatility; assay limits vary.
2-MeTHF/CPME: Greener ethers for nonpolar solutes; limited water miscibility; check assay tolerance.
Storage and Reconstitution
Clear storage guidance is essential to preserve integrity, especially for screening compounds.
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General best practices (literature-based):
Protect from moisture and excessive heat; store in a cool, dry place. If light-sensitive chromophores are suspected, use amber vials or wrap in foil.
For solution stocks: Although the neat material is listed as room-temperature stable, many small-molecule DMSO stocks show improved longevity at −20 °C or below. Aliquot to avoid repeated freeze–thaw cycles. Allow to reach room temperature before opening to minimize condensation.
Reconstitution: Start with dry, anhydrous DMSO. If insoluble, trial alternative solvents (DMF, MeOH, ACN) or co-solvent systems. Document final solvent system and concentration on the vial/plate and in your ELN.
Stability checks: Periodically assess by LC–MS/UPLC for degradation, especially after prolonged storage or exposure to air/light.
Note: The above general practices do not override item-specific directions. Where the CoA or label provides more specific storage instructions, follow those.
Structure and Identity
Concise identity summary and what is known from the listing.
Item-specific (from Product Data):
SKU: T614571
Product Name: T₂
CAS: T614571 (catalog placeholder; not a standard CAS registry number)
PubChem CID: 65559
InChIKey: 49973 (not in standard 27-character format)
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 (item-specific):
Not provided. No functional groups, ring systems, or stereochemistry are described in the Product Data.
Interpretation notes:
“T₂” here appears to be a catalog/library code rather than a fully disambiguated IUPAC name. Without a valid SMILES/InChIKey or formula, the 2D structure cannot be described.
For unambiguous structural data (and any synonyms), consult the lot-specific CoA or reach out to Aladdin Scientific with the SKU for the current structure record.
General guidance:
Prior to experimental use (especially in structure-dependent assays), verify identity by orthogonal methods (e.g., LC–MS, 1H/13C NMR) using the CoA reference. Retain spectra with the lot record for auditability.
Synthetic Utility
Without a disclosed structure, specific synthetic transformations or retrosynthetic roles cannot be assigned to this item.
Item-specific: Functional groups and reactivity are not provided; consult CoA/structure.
General guidance for repurposing library compounds as intermediates:
Confirm identity and purity via LC–MS and NMR; assess presence of salts/solvates.
Map functional groups (IR, NMR, HRMS) and assess stability toward acid/base, oxidants/reductants to guide reaction planning.
If chiral, determine enantiomeric purity and absolute/relative configuration before stereosensitive steps.
Pilot small-scale reactions to benchmark chemoselectivity and pinpoint liabilities (e.g., hydrolysis-prone esters, oxidizable anilines, thiol/disulfide exchange).
Consider protecting-group strategies only after establishing the minimal set of transformations needed to reach your target series.
Target Specificity
Target, epitope, or selectivity data are not provided for this item.
Item-specific (from Product Data):
Target/epitope: Not specified for this item; refer to CoA/Spec Sheet.
Species reactivity/assay class: Not specified for this item; refer to CoA/Spec Sheet.
General note: For small-molecule libraries, specificity is determined empirically. Employ diverse counterscreens and orthogonal assays to discern true on-target activity from assay interference.
Perguntas frequentes
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 room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is T614571. InChIKey CPCJBZABTUOGNM-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.
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