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
Item-specific (from Product Data)
No tested application protocols are provided for this item.
General small-molecule screening workflow (literature/general)
Stock preparation:
Weigh accurately and prepare 10–20 mM stock in anhydrous DMSO. Vortex and sonicate gently if needed. Filter through 0.22 μm PTFE if particulate remains.
Plate handling:
Dispense by acoustic or pin tools into assay plates. Aim for final DMSO ≤0.5–1.0% (optimize per assay). Include vehicle controls and, if available, positive/negative controls.
Serial dilution:
Prepare half-log or 3-fold dilution series (8–12 points). Avoid intermediate aqueous dilutions to prevent precipitation; dilute directly into assay buffer.
Assay execution:
Equilibrate plates to room temperature to minimize condensation. Mix gently after compound addition and incubate per assay requirements.
Data quality:
Monitor Z’ factor and signal window. Inspect for edge effects and compound precipitation (visible or via light scatter). Confirm hits with fresh material and orthogonal readouts.
Notes
Adjust procedures for specialized assays (e.g., cell-based, biophysical) and consult institutional SOPs.
Biological Roles
Item-specific (from Product Data)
No target, pathway, or biological role is specified for this item.
General guidance (literature/general)
As a Moligand™ small-molecule, ACT-1014-6470 may be evaluated as a putative ligand in biochemical or cellular systems. Without structural and target data, no assertions can be made about mechanism, potency, or selectivity.
Assess basic ADME-relevant properties in vitro when needed: permeability (PAMPA/Caco-2), metabolic stability (liver microsomes), and plasma protein binding. These are exploratory research assays and do not imply suitability for any therapeutic use.
If literature exists for CID 142620206, cross-check identifiers and verify that the structure, salt form, and stereochemistry match this catalog item before extrapolating any activity data.
Important note
For research use only. No medical, diagnostic, or clinical claims are made or implied for this catalog item.
Buffer Applications
Applicability
This product is a small-molecule library member, not a buffering reagent. It has no defined buffering capacity or pKa information provided.
General lab guidance (literature/general)
When formulating assay buffers for small-molecule testing, choose buffers with minimal compound interaction (e.g., HEPES, MOPS, Tris) and maintain constant ionic strength.
Keep organic co-solvent (DMSO or ethanol) consistent across wells and controls; equilibrate plates to room temperature to reduce precipitation.
If the compound is ionizable (unknown here), pH can influence solubility and target engagement; bracket pH within physiological ranges (6.5–8.0) to assess sensitivity.
Item-specific data
pKa, buffer compatibility, and precipitation thresholds: Not specified for this item; refer to CoA/Spec Sheet.
Green Alternatives
Context (literature/general)
For small-molecule screening solids, the main environmental impact often arises from solvent choice, dilution workflows, and disposable plastics. With no structure-specific constraints provided, greener practice focuses on solvent minimization and safer solvent selection.
Greener solvent considerations
Prefer aqueous buffers with minimal DMSO (≤0.5–1%) when solubility allows.
If high-solvency vehicles are required, explore bio-based alternatives for preparative work (e.g., Cyrene or 2-MeTHF) where chemically compatible; note that many biochemical assays still require DMSO for compatibility.
Use ethanol as a co-solvent instead of DMF/NMP when chemically feasible.
Operational improvements
Miniaturize assays (384–1536-well) to reduce solvent and compound consumption.
Implement acoustic dispensing to avoid intermediate DMSO dilutions and plastic tips.
Recycle or re-use glassware and employ solvent capture for halogenated waste streams.
Illustrative comparison (general)
DMSO vs DMF/NMP: DMSO generally preferred for toxicity profile and biodegradability; DMF/NMP are more strictly regulated.
EtOH vs MeOH: Ethanol less toxic and often acceptable in bioassays; methanol offers higher solvency but greater toxicity.
Caveat
Validate compound stability/assay performance when substituting solvents; no item-specific stability data are available for this entry.
Pharmaceutical Uses
Applicability
No pharmacopeial status, excipient role, or manufacturing use is provided for this item. It is supplied strictly for research use only.
General context (literature/general)
Small-molecule ligands in discovery are sometimes evaluated in pre-formulation studies (solubility, stability, compatibility) to inform research experiments. Such activities are exploratory and do not imply suitability for clinical use.
If formulation-like studies are required (e.g., to support in vitro or ex vivo research):
Prepare concentrated DMSO stocks and dilute into compatible aqueous vehicles immediately before use.
For poorly soluble materials, consider cyclodextrin inclusion complexes or micellar systems for research assays, validating that vehicles do not confound results.
Compliance note
For research use only. Not for human or veterinary use, and not for ex vivo diagnostic procedures unless explicitly validated under appropriate regulations.
Physical Properties
Item-specific (from Product Data)
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Physical state: Not specified for this item; refer to CoA/Spec Sheet.
Melting point: Not specified for this item; refer to CoA/Spec Sheet.
Boiling 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, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
General guidance (literature/general)
Small-molecule screening solids commonly dissolve well in polar aprotic solvents such as DMSO and DMF; solubility in aqueous buffers often requires co-solvent (0.1–1% DMSO) or pH adjustment when ionizable groups are present.
For unknown materials, determine:
Kinetic solubility in DMSO and PBS (pH 7.4) using nephelometry or UV-Vis.
Thermal behavior by DSC/TGA to identify polymorphism or residual solvents.
Hygroscopicity via dynamic vapor sorption to inform handling.
If a salt form is supplied, aqueous solubility and pH stability can differ significantly from the free base/acid; consult the CoA for exact form.
Quality and Grades
Item-specific (from Product Data)
Grade/Purity: Moligand™.
What Moligand™ implies (general explanation)
Moligand™ is used by Aladdin Scientific to denote small-molecule ligands intended for research screening, cheminformatics collections, and assay development. While exact purity specifications are not listed here, Moligand™ items are typically suitable for biochemical and cell-free assays after brief identity/purity verification.
Recommended QC on receipt (general best practices)
Confirm identity by LC–MS (single dominant ion at expected m/z) and, when practical, 1H NMR.
Assess purity by analytical HPLC/UPLC with UV (and MS if available). If a potency-critical application is planned, consider drying (vacuum, RT) to remove residual solvents prior to weighing.
If the compound is supplied as a salt, verify counterion content by ion chromatography or quantitative NMR.
Notes specific to this item
No item-specific assay purity, water content, residual solvent, metal content, or inhibitor/stabilizer is provided in the Product Data. Not specified for this item; refer to CoA/Spec Sheet.
If low-UV absorbance is critical (e.g., HPLC-grade solvents), that is not applicable here; this is a small-molecule ligand, not a solvent grade.
Reaction and Applications
Item-specific (from Product Data)
Manufacturer Applications: Not specified for this item; refer to CoA/Spec Sheet.
Applicability to this compound type (literature/general)
As a Moligand™ small-molecule, ACT-1014-6470 is positioned for research applications such as primary screening, secondary confirmation, target deconvolution workflows, and SAR exploration. It is not typically used as a synthetic reagent or solvent.
Cell-based assays: pathway reporter assays, phenotypic screens, and target engagement by CETSA or CETSA HT.
Chemoinformatics: inclusion in virtual screening sets; cross-referencing with public identifiers (CID 142620206) to identify literature context.
Practical tips
Prepare DMSO stocks at 10–20 mM; check for precipitation upon aqueous dilution. Keep final DMSO ≤1% for sensitive enzymes and ≤0.5% for primary cells.
Include vehicle controls matched to solvent content and preincubation times.
For light- or air-sensitive chemotypes (unknown here), minimize exposure; use amber vials and inert gas if degradation is observed.
Note
Without structure-specific information, do not assume reactivity or off-target risk; establish selectivity profiles empirically.
Reaction Conditions
Applicability
Not typically applicable. This product is a screening compound rather than a reagent or catalyst, and no structure-specific reactivity data are provided.
General guidance (literature/general)
If used in chemical biology conjugations (e.g., to immobilize or label for pull-down assays), conditions depend entirely on the compound’s functional groups (unknown here). Common bioconjugation handles include primary amines (NHS esters), thiols (maleimides/iodoacetamides), and alkynes/azides (CuAAC). Do not attempt modifications without confirming the exact structure and compatibility.
Stability screens prior to assay:
pH stability: incubate at pH 2, 7.4, and 9 at room temperature over 24–48 h and analyze by LC–MS.
Redox/light stability: expose to ambient light and reducing/oxidizing conditions to detect liabilities.
Item-specific parameters
Temperatures, catalysts, solvent systems, and yields: Not specified for this item; refer to CoA/Spec Sheet if any synthetic provenance is disclosed.
Safety and Handling
Item-specific (from Product Data)
GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.
Storage conditions: Room temperature.
General safety guidance (literature/general)
Handle small-molecule research compounds in a fume hood, avoiding inhalation and skin/eye contact. Wear appropriate PPE: lab coat, safety glasses, and disposable nitrile gloves.
Avoid incompatible materials until confirmed by SDS (strong oxidizers/reductants, strong acids/bases, or reactive metals depending on functional groups).
First aid (overview; defer to SDS):
Inhalation: Move to fresh air; seek medical attention if symptoms persist.
Skin: Wash with soap and water; remove contaminated clothing.
Eyes: Rinse cautiously with water for several minutes; remove contact lenses if present; seek medical advice.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Spill/accidental release: Collect solids by damp disposable towel or HEPA vacuum; for solutions, absorb with inert material and dispose per institutional hazardous waste procedures.
Fire-fighting: Use CO2, dry chemical, or foam. Combustion may produce CO/CO2 and nitrogen/sulfur/halogen oxides if present in the molecule (consult SDS).
Environmental precautions: Prevent release to drains; contain and dispose as hazardous waste.
Always consult the current SDS for authoritative hazard and response information.
Solvent Selection
Item-specific (from Product Data)
No solubility or solvent compatibility is specified for this item; refer to CoA/Spec Sheet.
General guidance for small-molecule library members (literature/general)
Primary stock solvent: DMSO is the default due to broad solubilizing power and assay compatibility. Prepare 10–50 mM stocks, filter (0.22 μm) if needed, and store aliquots.
Alternative solvents: DMF and NMP can rescue poorly soluble chemotypes; ethanol or methanol may be acceptable for some biochemical assays. For aqueous work, incorporate 0.1–1% DMSO and gentle warming/sonication.
pH-modulated solubility: If the molecule is ionizable (unknown here), mild acid (for bases) or base (for acids) in water-miscible co-solvent can increase solubility; keep final assay pH within tolerance.
When to choose vs alternatives
Use DMSO when structure is unknown or mixed chemotypes are expected. Switch to cosolvent blends (e.g., DMSO:PEG400:water) if precipitation occurs on dilution.
Quick comparison (general)
DMSO: excellent solvency, high boiling point, miscible with water; may affect some enzymes above 1–2%.
DMF/NMP: strong solvency; consider cytotoxicity in cell assays; limit to <1% where possible.
EtOH/MeOH: lower solvency breadth; often tolerable up to 1–2% in biochemical assays.
Storage and Reconstitution
Item-specific (from Product Data)
Storage conditions: Room temperature.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance/physical form: Not specified for this item; refer to CoA/Spec Sheet.
General guidance (literature/general)
Solid storage: Keep tightly closed in the original container with desiccant at room temperature as specified. Protect from light if the compound is light-sensitive (unknown here). Record first-open date and minimize headspace exposure if volatility is suspected.
Solution storage: Prepare single-use aliquots of DMSO stock (e.g., 10–20 mM) in amber vials or plates. Store frozen at −20 to −80°C. Avoid repeated freeze–thaw; thaw on ice and use immediately.
Stability checks: Periodically verify stock integrity by LC–MS/UPLC and compare to initial chromatograms. Discard if significant degradation or precipitation is observed.
Reconstitution tips: Start with DMSO; if required, warm gently (≤40°C) and sonicate briefly. For aqueous use, dilute DMSO stock directly into pre-warmed buffer with thorough mixing to avoid localized supersaturation.
Important
Follow any additional instructions on the item’s CoA/Spec Sheet. For research use only.
Structure and Identity
Item-specific (from Product Data)
Product name: ACT-1014-6470 (SKU: A607390)
Grade: Moligand™
CAS: Not specified for this item; refer to CoA/Spec Sheet.
CID: 142620206
InChIKey: 443776 (format appears non-standard; verify against CoA/SDS)
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.
General notes (literature/general)
ACT-1014-6470 is cataloged as a small-molecule library member. Without a provided structure, functional groups, ring systems, and stereochemical information cannot be detailed for this specific listing.
For unambiguous identity control, best practice is to confirm: exact IUPAC name, validated InChIKey/SMILES, HRMS/LC–MS trace, and NMR (1H/13C) as supplied on the item’s Certificate of Analysis.
2D structure description (general guidance)
Not specified for this item. If structural data are provided in the CoA, describe in terms of core scaffold (e.g., heteroaryl/biaryl/aliphatic), key functional handles (amines, amides, sulfonamides, heterocycles), and any chiral centers or salt forms.
Synthetic Utility
Applicability
ACT-1014-6470 is offered as a Moligand™ small-molecule library member for screening and assay work. It is not positioned as a synthetic reagent or building block in this listing.
General notes (literature/general)
Without a disclosed structure or functional group information, no specific transformations, protecting-group strategies, or coupling tactics can be recommended for derivatization.
If medicinal chemistry follow-up is planned after biological screening, obtain the full structural specification (exact structure, salt, stereochemistry) and consider standard optimization vectors (heteroatom modification, ring substitutions, bioisosteres).
Recommendation
For SAR campaigns, request or determine the structure, then plan parallel synthesis around the core scaffold using common tactics (amide/sulfonamide formation, Suzuki/Chan–Lam couplings, reductive amination). None of these are item-specific recommendations until the functional groups are verified.
Target Specificity
Item-specific (from Product Data)
No target, enzyme/receptor name, selectivity panel, or binding constants are provided for this item.
General guidance (literature/general)
Establish specificity empirically using tiered profiling:
Primary assay against the putative target or pathway.
Secondary counterscreens against homologs/isoforms to measure selectivity.
Off-target panels (e.g., GPCR/kinase/ion-channel safety screens) as relevant to the research scope.
Employ orthogonal biophysical confirmation (SPR, ITC, DSF, NMR) to validate direct binding versus assay interference.
Watch for frequent hitter/PAINS behavior using orthogonal readouts and detergent controls where appropriate.
Note
Any literature data mapped to CID 142620206 must be verified to match this exact compound (structure, salt form, stereochemistry) before use.
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 room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is A607390. InChIKey YPWBQOVYMUEXJT-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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Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
