SG-094 - Moligand™, 10 mM in DMSO , CAS No.2922283-37-0

CAS: 2922283-37-0 Cat. No.: S1497554 Formula: C₃₀H₂₉NO₃ Molecular Weight: 451.56

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

SG-094 is a potent TPC2 inhibitor with antiproliferative effects. SG-094 can be used for the research of cancer.

Specifications

Specifications & Purity

Moligand™, 10 mM in DMSO

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Names and Identifiers

Molecular Weight

451.56

Application Protocols

No validated application protocols are provided for this item.

General practices for small-molecule screening (guidance)

• Stock preparation: Dissolve in dry DMSO to a convenient concentration (e.g., 10–50 mM). Filter if needed (0.22 µm PTFE) and aliquot to avoid freeze–thaw.
• Light sensitivity: Protect from light per item-specific storage guidance (use amber vials, foil wrap, or dark storage during handling).
• Assay dosing: Dilute into assay media to a consistent final vehicle percentage (commonly 0.1–1% DMSO). Include vehicle controls and, when available, positive/negative control compounds.
• Data quality: Employ replicate measurements, concentration–response curves, and counterscreens for interference (fluorescence, redox, aggregation).

Any item-specific protocols (WB, IHC, IF, FC, enzymatic assays, binding protocols): Not specified for this item; refer to CoA/Spec Sheet.

Biological Roles

No biological role, target, or pathway annotation is provided for SG-094.

General research context

• As a Moligand™ library member, SG-094 is supplied for discovery research and may be evaluated as a chemical probe candidate in diverse targets once activity is established experimentally.
• Until structural and activity data are available, classify it as an unannotated small molecule; avoid inferring mechanism-of-action or pathway engagement.

Best practices

• Use hypothesis-neutral screening, followed by orthogonal counterscreens to identify genuine target-related effects versus assay interference.
• If activity emerges, proceed with mechanism-of-action deconvolution (e.g., target engagement assays, CETSA/TPP, genetic epistasis) before assigning biological roles.

All claims of biological function, ADME, or toxicity are out of scope without item-specific data. For research use only.

Buffer Applications

This product is a small organic molecule rather than a buffering reagent. No pKa or buffering capacity data are provided.

• Buffer preparation/use: Not typically applicable. Use standard biological buffers (e.g., PBS, HEPES, Tris) for assays involving SG-094.
• Compatibility: When diluting DMSO stocks into buffers, maintain consistent final solvent concentration and verify absence of precipitation or turbidity. If the compound is ionizable (unknown here), buffer pH can influence solubility and apparent potency—determine experimentally once structure is available.

Item-specific buffer ranges, recipes, or pKa: Not specified for this item; refer to CoA/Spec Sheet.

Green Alternatives

In the absence of structure-specific information, greenness considerations center on solvent and process choices during assay preparation or synthetic follow-up.

Sustainable solvent choices (general guidance)

• Prefer lower-toxicity, biorenewable solvents where compatible: 2-methyltetrahydrofuran (2-MeTHF), cyclopentyl methyl ether (CPME), ethanol, isopropanol, ethyl acetate.
• For aqueous dilutions, reduce DMSO carryover to the minimum compatible with solubility (e.g., ≤0.1–0.5% v/v in assay wells) to lessen solvent burdens.

Trade-offs

• 2-MeTHF/CPME offer improved safety and environmental profiles versus chlorinated solvents but may have reduced solvation power for polar/ionic species.
• Ethanol and isopropanol are greener but can perturb biological assays at higher percentages; define vehicle controls carefully.

Illustrative comparison (general)

• DMSO: Excellent solvation and water miscibility; higher EHS burden; commonly used at ≤1% v/v in assays.
• Ethanol: Greener, volatile; moderate solvation capacity; typical assay use ≤1% v/v.
• 2-MeTHF/CPME: Greener ethers for synthesis; limited use in aqueous assay dosing but valuable for workup/formulation during hit expansion.

Item-specific environmental data and solvent constraints: Not specified for this item; refer to CoA/SDS.

Pharmaceutical Uses

No excipient status, compendial listings, or formulation roles are provided for SG-094.

• Intended use: For research use only. This material is not for human or veterinary use, diagnostic use, or clinical applications.
• Formulation context: In discovery settings, library compounds may be formulated as DMSO stocks for in vitro assays. Any preclinical enabling formulation would require compound-specific stability, solubility, and compatibility data, which are not provided here.

Item-specific pharmacopoeial status (USP/EP/JP), residuals, or excipient applications: Not specified for this item; refer to CoA/Spec Sheet.

Physical Properties

Item-specific physical properties are not provided in the Product Data.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Melting/Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
• Density/Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD, pKa, solubility: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/computational, not item-specific)

• Library small molecules often arrive as solids supplied for DMSO stock preparation (e.g., 10–50 mM). Absent specific solubility data, begin with dry, anhydrous DMSO; if insoluble, consider co-solvents (DMF, ethanol) or salt formation when appropriate.
• For physicochemical profiling, determine experimental solubility, lipophilicity (shake-flask logP/logD), and ionization behavior (titration or LC-MS pH-profiling) to guide assay conditions.
• Verify thermal stability with a small-scale ramp (DSC/TGA) if heating or lyophilization is anticipated.

Always consult the lot-specific CoA/SDS for definitive specifications and handling limits.

Quality and Grades

• Grade/Purity: Moligand™. This denotes a small-molecule screening grade within a discovery library context. It is intended for research use in assay development, target screening, and SAR exploration.

What this generally implies (context, not item-specific specifications)

• Identity/Integrity: Typically QC’d by orthogonal analytical methods (e.g., LC-MS and/or NMR) to confirm structure and library suitability; exact tests and acceptance criteria are lot-specific. Not specified for this item; refer to CoA/Spec Sheet.
• Purity benchmark: Screening-grade materials often meet a nominal purity suitable for biochemical assays; exact percentage and impurity profile are Not specified for this item; refer to CoA/Spec Sheet.
• Residual solvents, water, inorganic residues, stabilizers: Not specified for this item; refer to CoA/Spec Sheet.

How to use this grade effectively

• Verify purity and concentration by in-house LC-UV or LC-MS upon receipt, especially for critical decision-making studies.
• Prepare fresh DMSO stocks and store as aliquots at −80 °C, protected from light, to maintain integrity over the course of screening campaigns.
• Document lot numbers across datasets to ensure traceability during SAR analyses.

Reaction and Applications

This product is positioned as a small-molecule library member for research use. No reaction-specific functional group data are available.

Discovery applications (general guidance)

• High-throughput screening (HTS) and hit identification: Employ in biochemical or cell-based assays to discover modulators of molecular targets. Pair with robust controls and orthogonal readouts.
• Hit confirmation and profiling: Use concentration–response curves, counter-screens for interference, and orthogonal biophysics (e.g., DSF, MST, SPR) as appropriate to rule out assay artifacts.
• Early SAR: If analogs are available in the Moligand™ series, rank by potency and physicochemical liabilities (solubility, lipophilicity, clearance surrogates) for triage.

Assay design considerations

• Prepare fresh DMSO stocks, protect from light (item-specific), and minimize freeze–thaw to preserve compound integrity.
• Assess aggregation and redox activity with detergent controls and PAINS/REOS filters once structure becomes available.

Because no structural features are provided, named-reaction usage (e.g., cross-coupling, nucleophilic substitutions) cannot be specified for this item.

Reaction Conditions

No reaction condition guidance can be provided for SG-094 without its structure or functional group information.

General guidance for follow-up chemistry on related analogs (literature-based, not item-specific)

• Cross-coupling (if aryl/vinyl halides/boryl groups are present): Pd-catalyzed Suzuki–Miyaura in aqueous ethanol or 2-MeTHF with K3PO4, 50–90 °C; Buchwald–Hartwig amination using Pd/XPhos or BrettPhos at 80–110 °C.
• Amide formation (if acids/amines): HATU or EDCI coupling in DMF/MeCN; or green alternatives like CDI or DMTMM in MeOH/water where compatible.
• Heterocycle formation: Condensations or cycloadditions depend on motifs; optimize with DoE once the scaffold is known.

Assay solution handling (applicable)

• Prepare concentrated DMSO stocks, protect from light (item-specific), and dilute into assay buffers maintaining constant final solvent percentage.

Item-specific stability, temperature limits, or catalytic sensitivities: Not specified for this item; refer to CoA/Spec Sheet.

Safety and Handling

Hazard classification for this specific item is not provided.

• GHS Classification: Not specified for this item; refer to SDS.
• Signal word: Not specified for this item; refer to SDS.
• H-statements/Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (professional guidance)

• Handle in a fume hood with appropriate PPE: lab coat, safety glasses, and suitable chemical-resistant gloves (e.g., nitrile). Avoid inhalation and contact with skin/eyes.
• Storage conditions (item-specific): Store at −80 °C, protected from light. Keep tightly closed. Minimize freeze–thaw; prepare single-use aliquots where feasible.
• Incompatibilities: Unknown for this structure; as a precaution, avoid strong oxidizers/reducers, strong acids/bases, and reactive acylating/alkylating conditions until compatibility is known.
• First aid (overview; defer to SDS): In case of skin/eye contact, rinse with water for at least 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth. Seek medical attention as needed.
• Spill response: Contain solids with inert absorbent, avoid dust generation, and collect in a sealed container for disposal per institutional and local regulations.

Authoritative safety information resides in the product SDS; consult the lot-specific SDS prior to use.

Solvent Selection

Item-specific solubility is not provided. Without structural data, solvent choice should follow a tiered screening approach.

Recommended sequence (general guidance)

• Primary stock solvent: Anhydrous DMSO (typical for discovery libraries). Start at 10–50 mM; warm gently (≤40 °C) and vortex/sonicate to assist dissolution.
• If insoluble or unstable in DMSO: Evaluate DMF and NMP. For protic options, consider ethanol or isopropanol. Use co-solvent systems (e.g., DMSO:buffer 1–5% v/v in assays) to minimize solvent effects.
• Aqueous work: Adjust pH only if ionizable groups are known/confirmed; avoid basification or acidification without structural compatibility data.

Polarity and miscibility notes (general)

• DMSO, DMF, NMP are highly polar and water-miscible, facilitating serial dilution into assay buffers; ethanol offers lower viscosity and volatility but reduced solvation for highly lipophilic compounds.

Practical controls

• Filter 0.22 µm if particle formation is observed after aqueous dilution.
• Maintain a constant final solvent percentage across wells (e.g., 0.1–1% DMSO) and include vehicle controls to deconvolute solvent effects.

All item-specific solubility limits and UV cutoffs: Not specified for this item; refer to CoA/Spec Sheet.

Storage and Reconstitution

Item-specific conditions

• Storage: Store at −80 °C, protected from light.
• Shipping: Shipped on dry ice packs + cold packs.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Reconstitution guidance (general)

• Solvent: Use anhydrous DMSO as the default for small-molecule libraries unless otherwise specified. Start at 10–50 mM. If insoluble, evaluate DMF or ethanol; avoid aqueous dissolution until solubility is verified.
• Technique: Bring vial to room temperature in a desiccated, dark environment before opening to minimize condensation. Add solvent, vortex/sonicate gently, and verify complete dissolution visually.
• Aliquoting: Dispense single-use aliquots into amber vials or 96/384-well plates; immediately refreeze at −80 °C. Minimize cumulative freeze–thaw cycles.
• Handling light sensitivity: Use amber glassware or foil-wrapped containers during preparation and storage.

Stability

• Retest/expiry and solution stability: Not specified for this item; refer to CoA/Spec Sheet. As a precaution, limit long-term storage of DMSO stocks to −80 °C and monitor by LC-MS before critical experiments.

For research use only.

Structure and Identity

Item-specific identifiers provided are minimal for this screening compound.

• Product Name: SG-094 (SKU: S1497554)
• CAS: 2922283-37-0
• Grade: Moligand™ (library/screening-grade; see Quality & Grades)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Synonyms: Not specified for this item; refer to CoA/Spec Sheet.

Structural description

• No structural drawing, functional group list, or stereochemical information is provided in the current product data. If structural identifiers (SMILES/InChI) become available, they can be used to derive ring systems, heteroatom content, and putative hydrogen-bond donors/acceptors for in silico assessments.

Practical notes

• For cheminformatics workflows, request the structure file (SDF/Molfile) via CoA before docking, QSAR, or physicochemical predictions.
• For analytical identification, retain lot-specific CoA that ties the CAS to the internal identifier SG-094 for data integrity.

Synthetic Utility

Synthetic transformations for SG-094 cannot be described without structural information.

General notes for library compounds

• If structural information becomes available, retrosynthetic analysis can identify convergent routes (e.g., cross-couplings, amide bond formations, heteroaryl constructions) for analog development.
• For SAR expansion, prioritize robust, late-stage diversification handles (e.g., aryl halides, boronates, carboxylic acids, primary amines) to streamline parallel synthesis.
• Analytical control: LC-MS monitoring with universal gradients and evaporative detection can accelerate route scouting for unknown chromophores.

Item-specific functional groups, protecting-group strategies, or named-reaction fit: Not specified for this item; refer to CoA/Spec Sheet.

Target Specificity

No target specificity data are provided for SG-094.

• Molecular target(s), mechanism of action, binding constants, and selectivity profiles: Not specified for this item; refer to CoA/Spec Sheet or screening results generated by the end user.

Guidance

• If screening identifies activity, follow with orthogonal target engagement assays and selectivity panels to establish specificity and mitigate off-target risks.

All biological targeting information must be derived from experimental data; none is supplied in the current Product Data.

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 ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2922283-37-0, the molecular formula is C30H29NO3, and the molecular weight is 451.56 g/mol.

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.