(S)-SNAP5114 - Moligand™, 10 mM in DMSO , CAS No.157604-55-2

CAS: 157604-55-2 Cat. No.: S1493689 Formula: C₃₀H₃₅NO₆ Molecular Weight: 505.61 EC Number: 633-889-4 PubChem CID: 10458835

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

(S)-SNAP5114 is a selective GABA transport inhibitor, with IC 50 values of 5 μM and 21 μM for hGAT-3 and rGAT-2, respectively. (S)-SNAP5114 is an anticonvulsant agent .

Specifications

Specifications & Purity

Moligand™, 10 mM in DMSO

Storage

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™

Action Type

INHIBITOR

Names and Identifiers

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)OCCN4CCC[C@@H](C4)C(=O)O

WGK Germany

3

PubChem CID

10458835

Molecular Weight

505.61

Application Protocols

Tested applications, recommended dilutions, and positive controls are not specified for this item in the product data.

• Catalog-validated applications: Not specified for this item.
• Suggested protocols: Not specified for this item.

For laboratory use, develop assay-specific protocols based on your platform (biochemical uptake assays, cell-based functional readouts, or analytical LC–MS methods) and validate performance (dynamic range, Z′ factor, and control responses) before large-scale screening. Refer to the SDS and CoA for any handling constraints.

Biological Roles

Context from the literature (not item-specific specifications):

• SNAP-5114 has been reported in the neuroscience/chemical biology literature as a small-molecule probe affecting GABAergic neurotransmission via inhibition of certain GABA transporters. The “(S)” designation denotes a single enantiomer, which can influence potency and selectivity profiles versus the racemate or the opposite enantiomer.
• Such compounds are typically employed to modulate synaptic/transporter activity in vitro or in ex vivo tissue studies, enabling mechanistic interrogation of neurotransmitter uptake pathways.

What this means for users:

• This SKU, labeled Moligand™, is positioned for research use as a ligand/chemical probe. If your work relies on a specific transporter isoform or enantiomeric purity, confirm identity and stereochemical assignment on the CoA and consider independent chiral purity verification.
• Biological performance can depend strongly on assay format (cells vs membranes vs purified protein), expression levels, and buffer composition (e.g., Na+/Cl− dependence for solute carrier transporters). Build suitable controls to distinguish true target engagement from off-target or solubility effects.

No medical or clinical claims are made or implied. Use strictly for research purposes in controlled laboratory environments.

Buffer Applications

This product is not a pH buffer component. Conventional buffer system guidance (phosphate, HEPES, Tris, etc.) does not directly apply to the compound itself.

Practical note for assays (general):

• When preparing assay solutions that contain this ligand, select a buffer compatible with your biological system (e.g., HEPES or phosphate-buffered saline) and ensure the final organic co-solvent level (often DMSO) is kept low (≤0.1–1% v/v) to maintain cell or protein integrity.
• Pre-test for precipitation upon dilution by visual inspection and by analytical confirmation (LC/UV or LC–MS). Adjust ionic strength and temperature consistently across control and treatment groups.

Item-specific buffer capacity/pKa data: Not specified for this item; refer to CoA/Spec Sheet.

Green Alternatives

Because this product is used mainly as a screening ligand or analytical standard, “greenness” considerations focus on solvent systems and sample handling rather than on replacing the compound itself.

Greener solvent choices (general guidance):

• Prefer aqueous assay buffers with minimal DMSO content (≤0.1–0.5% v/v) when assay tolerance allows.
• If organic co-solvent is needed, ethanol can sometimes substitute for acetonitrile or DMF in biological contexts, subject to compatibility testing.

Comparison of common solvents for stock preparation (general/literature):

• DMSO: High solvency; low volatility; widely accepted in bioassays; not “benign,” but manageable and recyclable in some workflows.
• DMF/NMP: Powerful but higher EHS burden; avoid if DMSO suffices.
• Acetonitrile: Excellent for LC; volatile and flammable; reduce use via microflow LC or shorter gradients.
• Ethanol: More benign; miscibility/public health profile favorable; solvency may be insufficient for very hydrophobic ligands.

Process improvements:

• Use high-concentration master stocks and acoustic dispensing to minimize solvent volume and plastic waste.
• Adopt miniaturized assays (384/1536-well) to cut solvent consumption.
• Implement sealed-plate handling to reduce evaporative losses and VOC exposure.

Note: No item-specific green certifications or solvent restrictions are specified for this SKU.

Pharmaceutical Uses

This product is offered strictly for research use only; it is not intended for human or veterinary use, diagnostic procedures, or as an active pharmaceutical ingredient.

Relevant roles in a pharmaceutical R&D context (general):

• Reference standard or tool compound in transporter/receptor assays for target validation and SAR benchmarking.
• Positive control in screening cascades, aiding assay qualification, dynamic range assessment, and cross-lab comparability.
• Potential internal standard or spike compound in bioanalytical method development (LC–MS/MS) for extraction recovery and matrix-effect studies.

Regulatory/compendial status:

• No pharmacopeial monograph or excipient designation is indicated for this item.
• GMP status: Not specified for this item; refer to CoA/Spec Sheet.

Formulation notes:

• Not intended as an excipient. Any formulation undertaken for research models should be supported by solubility, stability, and compatibility studies under your specific conditions.

Physical Properties

Authoritative, item-specific physical property data are not listed for this SKU. Where applicable, consult the item’s CoA/SDS for exact values applicable to your lot.

• Appearance: 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.
• Refractive index: Not applicable/unknown for solids; Not specified for this item; refer to CoA/Spec Sheet.
• Aqueous solubility: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility in organic solvents: Not specified for this item; refer to CoA/Spec Sheet.
• pKa/logP: Not specified for this item; refer to CoA/Spec Sheet.

General/literature guidance (non-spec):

• Screening collection ligands such as SNAP-series compounds are commonly prepared as concentrated stock solutions in anhydrous DMSO, then diluted into assay buffers immediately before use to minimize precipitation and adsorption losses.
• If solubility is uncertain, perform a small-scale solubility screen (DMSO → DMF → ethanol/acetonitrile → aqueous buffer with co-solvent) and verify by LC/UV or LC–MS.
• Hygroscopicity, polymorphism, or salt-form effects can influence the observed melting range and solubility; verify lot-specific details on the CoA.

Quality and Grades

• Grade: Moligand™

What Moligand™ implies (general to Aladdin’s ligand/library offerings):

• Intended for research screening and chemical biology workflows (e.g., target engagement, pathway modulation, in vitro assays). Identity is typically confirmed by orthogonal techniques (e.g., NMR/LC–MS) and packaged to support small-molecule library handling.
• Low adventitious water and minimal volatile residues are emphasized to aid accurate massing and stock preparation; however, exact residual solvent, water, or metal limits are not specified here.

Item-specific specifications:

• Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
• UV cutoffs, metal limits, peroxide content, and related analytical thresholds: Not specified for this item; refer to CoA/Spec Sheet.

Practical notes for users:

• Expect lot-specific documentation (CoA) to include analytical identity confirmation and purity assessment suitable for screening use. If your application requires extended QC (chiral purity, residual solvent profiling, water content, etc.), request or perform supplementary testing.
• For bioassays sensitive to trace impurities, consider pre-rinsing vials and performing a quick LC–MS intake check to confirm purity and elution behavior under your chromatographic conditions.

Reaction and Applications

This material is primarily positioned as a research ligand/chemical probe rather than as a synthetic reagent.

Applications (research/discovery context):

• Reference standard in biochemical assays and cell-based screening to interrogate transporter or receptor-mediated pathways (literature for SNAP-5114 class compounds).
• Tool compound for target engagement assessments (e.g., CETSA/TPP); concentration-response benchmarking; orthogonal validation of phenotypic hits.
• Analytical spike/standard for LC–MS/MS method development in complex matrices (e.g., stability, recovery, and adsorption studies).

Not typically applicable:

• Named-reaction participation or use as a stoichiometric reagent is uncommon; if derivatization or immobilization is desired (e.g., for affinity matrices), assess functional handle availability on your exact lot via CoA/structure and plan a bespoke route.

Practical tips:

• Prepare fresh DMSO stocks, filter if necessary (0.2 µm PTFE) to remove particulates, and store aliquots at low temperature to limit degradation.
• Validate assay windows across at least two solvent conditions (e.g., DMSO-only vs DMSO+buffer) to deconvolute solubility limits from pharmacological ceilings.
• Track freeze–thaw cycles and time at room temperature; many ligands show slow degradation or adsorption that confounds potency measurements.

Reaction Conditions

Not a typical stoichiometric reagent; therefore, conventional reaction condition guidance (catalyst/temperature/yield) is not directly applicable to this product.

Assay solution preparation (general guidance):

• Stock concentration: Commonly 10–50 mM in anhydrous DMSO for screening; confirm solubility empirically. This is general literature practice, not an item-specific specification.
• Dilution: Add stock slowly to vigorously mixed buffer to reach the desired final concentration while keeping DMSO at ≤0.1–1% v/v.
• Stability checks: Verify short-term solution stability at room temperature and long-term stability at refrigerated or frozen conditions by LC–MS or HPLC.
• Filtration: If particulates are observed, pass through a 0.2 µm PTFE filter (avoid adsorption-prone membranes for low ng/mL work).

Environmental controls:

• Protect from light and moisture if the compound class is known to be light- or hydrolysis-sensitive; store aliquots under inert atmosphere if warranted by your risk assessment.

Note: No item-specific reaction or assay condition data are provided in this listing; consult primary literature relevant to SNAP-5114-class ligands and your own pilot studies.

Safety and Handling

Safety overview for professional laboratories. For authoritative instructions, always consult the SDS for this SKU/lot.

• GHS classification, signal word, H/P statements, and pictograms: Not specified for this item; refer to SDS.
• Primary hazards (general): As with many bioactive small molecules, avoid inhalation of dust/aerosols, skin/eye contact, and ingestion. Effects may be characterized as harmful or irritant depending on concentration and exposure route (see SDS).
• Personal protective equipment (PPE): Lab coat, safety glasses or chemical splash goggles, and appropriate chemically resistant gloves (e.g., nitrile). Use a certified chemical fume hood for weighing and solution preparation.
• Handling: Minimize exposure time at ambient temperature. Open vials only after they equilibrate to room temperature in a desiccator to reduce moisture condensation. Avoid repeated freeze–thaw of solid or solutions.
• Incompatibilities: Strong oxidizers and strong acids/bases may degrade many organic ligands; verify compatibility experimentally if formulating in reactive media.
• First aid (general):
  • Skin/eyes: Rinse with copious water for ≥15 min; remove contact lenses; seek medical attention if irritation persists.
  • Inhalation: Move to fresh air; provide oxygen if breathing is difficult; obtain medical attention.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical care.
• Spill/leak: Avoid dust formation; collect with inert absorbent; dispose per institutional and local regulations.
• Waste: Treat as organic laboratory chemical waste; segregate halogenated vs non-halogenated solvents used for cleanup.

Solvent Selection

This product is supplied as a small-molecule ligand; solvent choice is driven by your assay or discovery workflow rather than by reaction chemistry.

General/literature guidance (non-spec):

• Primary stock solvent: Anhydrous DMSO is the standard for discovery compounds due to broad solubilizing power and biological compatibility at low final percentages (≤0.1–1% v/v in assays).
• Co-solvents: If DMSO alone is insufficient, dissolve in DMF or NMP, then back-dilute into aqueous buffers. For analytical injections, acetonitrile or methanol blends with water (0.1% formic acid or ammonium buffer as needed) are typical.
• Aqueous systems: Many hydrophobic ligands have poor direct water solubility. Use minimal DMSO stock volume and add slowly to vigorously mixed buffer to avoid precipitation; include nonionic surfactants only if your assay tolerates them.
• Adsorption mitigation: For low-dose screening, compound can adsorb to plastic. Use low-bind polypropylene, pre-rinse wells with dilute DMSO, and minimize intermediate transfers.

Comparison (typical screening use):

• DMSO: Best first choice; miscible with water; low volatility; strong solvency.
• DMF: Similar solvency; higher toxicity; hygroscopic; use for difficult cases.
• ACN/MeOH: Good for LC; limited compatibility for biological assays at higher %.

Always confirm solubility and stability of your lot in your chosen solvent system by LC/UV or LC–MS.

Storage and Reconstitution

Storage conditions (item-specific):

• Store at −80 °C.
• Shipped on dry ice packs + cold packs to maintain low temperature during transit.

Additional handling guidance:

• Upon receipt, keep the container closed and cold; allow the sealed vial to equilibrate to room temperature in a desiccator before opening to minimize moisture condensation.
• Divide into single-use aliquots immediately after first opening to limit freeze–thaw cycles.

Reconstitution information:

• Reconstitution/solvent recommendations: Not specified for this item; refer to CoA/Spec Sheet.

Stability considerations (general):

• Many discovery ligands are stable as dry solids at low temperature but can degrade in solution over time, especially at room temperature and in aqueous media. Verify solution stability under your specific conditions by LC–MS/HPLC.

Labeling reminder:

• For research use only. Not for human or veterinary use.

Structure and Identity

Brief overview: (S)-SNAP5114 is supplied as a Moligand-grade small molecule for research screening. Detailed structural identifiers for this catalog item are limited in the current listing.

• SKU: S1493689
• Product name: (S)-SNAP5114
• CAS: 157604-55-2
• PubChem CID: 10458835 (literature identifier for SNAP-5114 family)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general/literature context):

• SNAP-5114 is widely discussed in the literature as a small-molecule neurotransmission probe; the “(S)” prefix denotes a single enantiomer (chiral center present). Specific ring systems/functional groups for this exact catalog item are not disclosed here. See CoA/SDS for definitive identity data.

2D structure in words:

• Not disclosed in this listing. For an accurate depiction and atom-by-atom connectivity, consult the certificate of analysis or an authoritative structure database entry corresponding to the exact lot of (S)-SNAP5114 supplied.

Synthetic Utility

This material is supplied as a bioactive small-molecule ligand and is not typically employed as a synthetic reagent or building block in routine organic synthesis.

General considerations if derivatization is contemplated:

• Confirm the exact structure and functional handles from the CoA (e.g., presence/absence of acidic/basic groups, aromatic rings, or heteroatoms) before planning modifications such as linker installation for pull-downs or fluorescent tagging.
• If chiral integrity is critical (the “(S)” designation), ensure any transformation preserves stereochemistry or plan for enantiospecific synthesis or chiral resolution.

Best practices:

• Characterize any derivatives by full spectroscopic means (1H/13C NMR, HRMS, IR) and, if relevant, chiral HPLC to confirm enantiopurity.
• For immobilization or conjugation, select chemistries orthogonal to the putative pharmacophore to avoid loss of activity; validate function post-derivatization.

If you require a synthetic intermediate with known functional group reactivity, consider alternative catalog building blocks. For this SKU, no named reactions or reagent roles are specified.

Target Specificity

Target specificity data are not provided for this catalog item.

• Item-specific target, affinity, and selectivity metrics: Not specified for this item; refer to CoA/Spec Sheet or primary literature.
• General/literature context: SNAP-5114 has been described as a neurotransmitter transporter inhibitor in the chemical biology literature. The exact isoform selectivity and potency can depend on enantiomer and assay system; verify against primary sources if your work depends on these parameters.

This section is typically reserved for biomolecules (antibodies, proteins). For small molecules, users should consult peer-reviewed publications and generate in-house potency/selectivity data under their exact assay conditions.

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. Ultra-low temperature storage is required to maintain the specified shelf life.

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 157604-55-2, the molecular formula is C30H35NO6, and the molecular weight is 505.61 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.