(R)-YNT-3708 - Moligand™, ≥98% , Agonist of OX 1 receptor;Agonist of OX 2 receptor, CAS No.2923137-94-2, Agonist of OX 1 receptor;Agonist of OX 2 receptor

CAS: 2923137-94-2 Cat. No.: R613350 Summenformel: C₃₅H₃₆N₄O₆S Molekulargewicht: 640.75

GRADE & PURITY Moligand™, ≥98%

Synonyms

(R,E)-3-(4-Methoxy-3-(N-(8-(2-(3-methoxyphenyl)-N-methylacetamido)-5,6,7,8-tetrahydronaphthalen-2-yl)sulfamoyl)phenyl)-N-(pyridin-4-yl)acrylamide | (R) YNT 3708 | (R)-YNT 3708

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

(R,E)-3-(4-Methoxy-3-(N-(8-(2-(3-methoxyphenyl)-N-methylacetamido)-5,6,7,8-tetrahydronaphthalen-2-yl)sulfamoyl)phenyl)-N-(pyridin-4-yl)acrylamide | (R) YNT 3708 | (R)-YNT 3708

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

(R)-YNT-3708 is a selective orexin 1 (OX1R) agonist, with an EC50 of 7.48 nM.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of OX 1 receptor;Agonist of OX 2 receptor

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

O=C(/C=C/C1=CC=C(OC)C(S(NC2=CC3=C(CCC[C@H]3N(C(CC4=CC(OC)=CC=C4)=O)C)C=C2)(=O)=O)=C1)NC5=CC=NC=C5

IUPAC Name

(R,E)-3-(4-Methoxy-3-(N-(8-(2-(3-methoxyphenyl)-N-methylacetamido)-5,6,7,8-tetrahydronaphthalen-2-yl)sulfamoyl)phenyl)-N-(pyridin-4-yl)acrylamide

InChIKey

CUXJBONFEXBSTQ-YTUVCLRASA-N

INCHI

1S/C35H36N4O6S/c1-39(35(41)22-25-6-4-8-29(20-25)44-2)31-9-5-7-26-12-13-28(23-30(26)31)38-46(42,43)33-21-24(10-14-32(33)45-3)11-15-34(40)37-27-16-18-36-19-17-27/h4,6,8,10-21,23,31,38H,5,7,9,22H2,1-3H3,(H,36,37,40)/b15-11+/t31-/m1/s1

Molekulargewicht

640.75

Zugehörige Ziele (menschlich)

HCRTR1 Tclin Orexin receptor type 1 (0 Activities)

Discover Target: HCRTR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HCRTR2 Tclin Orexin receptor type 2 (0 Activities)

Discover Target: HCRTR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Application Protocols

No assay-validated protocols are provided for this item. The following are general, small-molecule handling workflows suitable for many discovery applications; adapt to your system.

Small-molecule stock and dosing (general)

• Prepare a 10–50 mM DMSO stock at −20°C. Aliquot to single-use volumes (e.g., 10–50 μL) to avoid freeze–thaw.
• Dose-response setups: Use half-log or quarter-log serial dilutions across 8–12 points; include matched DMSO vehicle controls and a positive control if available.
• Plate handling: Use low-bind polypropylene plates for hydrophobic compounds; pre-wet tips with vehicle to minimize adsorption.

Biophysical assays (general)

• For SPR/BLI, ensure the vehicle matrix is matched between analyte and reference. Filter stocks (0.2 μm PTFE) and degas buffers to limit refractive index artifacts.
• For thermal shift/CETSA, keep final DMSO ≤1% and verify compound integrity by LC–MS pre/post run.

Cell-based assays (general)

• Verify compound tolerance of your cells to the highest vehicle percentage. Pre-screen cytotoxicity when targets are unknown. Protect light-sensitive compounds where applicable.

Documentation

• Record lot number (SKU R613350), weighings, solvent batch, and storage conditions in ELN for traceability.

Biological Roles

Item-specific biological targets or modes of action for (R)-YNT-3708 are not disclosed in the product data.

General context (not item-specific)

• Chiral small molecules like (R)-enantiomers often display stereoselective interactions with protein targets (enzymes, GPCRs, ion channels), leading to differences in potency or selectivity relative to the racemate or the (S) form. Such enantioselectivity arises from complementary fit to chiral binding sites.
• In discovery workflows, enantiopure compounds are valuable for deconvoluting target engagement, off-target profiles, and pharmacology in biochemical or cell-based systems.
• No endogenous biological role is implied for (R)-YNT-3708; it is supplied strictly as a research tool compound.

Caution

• Avoid extrapolating biological effects without target- and assay-specific validation. For all uses, adhere to the Research Use Only notice and institutional biosafety guidelines.

Buffer Applications

(R)-YNT-3708 is not a buffer component. However, it is commonly handled in conjunction with biological buffers during assays.

General guidance for assay buffers (not item-specific)

• Vehicle control: Prepare DMSO stocks and dilute into buffers such as PBS, HEPES, Tris, or HBSS. Maintain matched vehicle controls at the same final DMSO concentration.
• Solubility checks: After dilution into buffer/media, visually inspect for precipitation and, if needed, gently warm (≤37°C) or increase surfactant/carrier protein within acceptable assay limits (e.g., 0.01–0.1% Tween-20; 0.1–0.5% BSA) to aid dispersion.
• Adsorption mitigation: For hydrophobic compounds, include 0.1–0.5% BSA or use low-bind plastics to reduce wall losses in low-nanomolar dosing.
• pH stability: Without pKa/degradation data, avoid extreme pH (<6 or >8.5) unless stability is verified.

Note

• Buffer recipes and operating ranges depend on the biological system; validate compatibility experimentally.

Green Alternatives

Green chemistry considerations for the use-phase of small-molecule ligands focus mainly on solvent choice and waste minimization since the compound itself is fixed.

• Prefer greener vehicles where compatible: Replace or minimize high-toxicity solvents (e.g., DMF) with DMSO, ethanol, or water/cosolvent systems when assay performance allows.
• Reduce DMSO load: Validate the lowest functional DMSO percentage (often 0.1–0.5% v/v in biological assays) to decrease solvent burden and potential cytotoxicity.
• Microscale workflows: Use miniaturized plate formats (384/1536-well) and acoustic dispensing to reduce solvent consumption and hazardous waste generation.
• Waste segregation: Keep halogenated and non-halogenated solvent streams separate. Neutralize/oxidize small organic residues under approved institutional procedures.

Illustrative comparison (general, not item-specific)

• DMSO vs DMF: DMSO is typically preferred for screening due to lower volatility and broader acceptance; DMF poses greater EHS concerns and is less favored in bioassays.
• Ethanol vs acetonitrile for dilutions: Ethanol offers a more benign profile but lower solvency; acetonitrile provides stronger solvency but higher environmental cost. Choose based on required performance.

Note

• No item-specific greener substitute exists for the molecule itself; improvements derive from solvent optimization, right-sizing experiments, and robust inventory/aliquoting to minimize freeze–thaw waste.

Pharmaceutical Uses

No pharmacopeial status or excipient role is provided for this item. (R)-YNT-3708 is supplied for research use only and is not intended for human or veterinary use.

Discovery/manufacturing context (general, not item-specific)

• May serve as a reference or control article in analytical method development (e.g., LC–MS retention benchmarking) within preclinical discovery.
• Can be used as a spiking standard to develop extraction, sample prep, and stability-indicating methods in early-stage research.
• If a target is known within a project, the compound can support pre-formulation screening (solubility, stability vs. pH, cosolvent tolerance) to guide subsequent medicinal chemistry optimization.

Important

• No therapeutic, diagnostic, or clinical claims are made or should be inferred. This material is not covered by any pharmacopoeia monograph based on the provided information.

Physical Properties

• 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.
• 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.
• Refractive index: Not applicable (typically for liquids); specific value not provided.

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

• Small-molecule library members are commonly supplied as solids or concentrated DMSO solutions. If solid, initial dissolution in anhydrous DMSO to 10–50 mM is typically feasible for most drug-like scaffolds, followed by dilution into aqueous assay buffers (maintaining final DMSO ≤0.1–1% v/v to protect biological systems).
• If poor DMSO solubility is encountered, co-solvents such as DMF, ethanol, or 1:1 DMSO:PEG-400 are often used (literature practice). Always verify compatibility with your assay.

Important

• Do not construe the above as specifications. All item-specific physicochemical parameters should be confirmed from the CoA/Spec Sheet or by in-house characterization before critical use.

Quality and Grades

• Grade/Purity: Moligand™ (per product data).

About Moligand™ (general description; not a specification)

• Moligand™ denotes a research-grade small-molecule suitable for ligand screening, target engagement studies, and discovery workflows. Such materials are typically provided at high chemical purity appropriate for bioassay use and are commonly verified by orthogonal analytical methods (e.g., LC–MS, NMR). Exact acceptance criteria for this specific item are not disclosed here.

What is specified for this item

• Purity grade name: Moligand™.
• Storage: −20°C.
• Shipping: Ice chest with ice pads to maintain a controlled, cool chain.

What is not specified for this item

• Exact purity percentage, water content, residual solvents, metal content, counter-ion/solvate, and stabilizers: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance

• For screening campaigns, confirm batch purity by LC–UV/MS upon receipt, especially for long-term projects.
• If stereochemical integrity is critical (this is the “(R)” enantiomer), consider chiral HPLC verification as part of incoming QC where feasible.

Reaction and Applications

(R)-YNT-3708 is supplied as a Moligand™ small molecule intended primarily for biochemical and cellular research rather than as a general synthetic reagent.

Applicable research uses (general, not item-specific)

• Tool compound in target engagement assays (e.g., thermal shift, CETSA, SPR, BLI) when structure and target are known within a project.
• Reference material in SAR campaigns, orthogonal assay confirmation, and counter-screen panels.
• Control or comparator in phenotypic screening, including viability, reporter, or imaging-based assays.

Less typical uses

• It is not generally selected as a stoichiometric reagent or catalyst for organic synthesis given its intended role as a screening ligand. Without structural disclosure, specific reaction chemistry cannot be recommended.

Practical tips

• Prepare concentrated DMSO stocks and filter if needed (0.2 μm PTFE) to remove particulates prior to sensitive biophysical assays.
• Assess compound integrity by LC–MS before and after key studies to rule out degradation or isomerization (important for enantiopure materials like the “(R)” form).

Reaction Conditions

No synthetic reaction conditions are provided for this product, and it is not primarily intended as a reagent or catalyst.

General guidance for preparing solutions for assays (not item-specific)

• Stock preparation: Dissolve accurately weighed material in anhydrous DMSO to 10–50 mM. Vortex and, if needed, sonicate briefly. Filter through 0.2 μm PTFE for sensitive biophysical assays.
• Working solutions: Dilute into assay buffer or cell culture medium to the desired concentration, maintaining final DMSO typically ≤0.1–1% v/v depending on system tolerance.
• Stability checks: Monitor for precipitation, color change, or LC–MS profile drift over the assay time course. Keep solutions protected from light if the chromophore is unknown.

If chemical transformations are planned on this molecule

• Obtain structure-specific data before attempting any reaction. Reaction temperature, catalysts, and stoichiometry are entirely functional group dependent and cannot be generalized for this undisclosed scaffold.

Safety and Handling

• GHS Classification: Not specified for this item; refer to SDS.
• Signal Word / H-Statements / Pictograms: Not specified for this item; refer to SDS.
• Storage Conditions: Store at −20°C (per product data). Protect from moisture and light unless otherwise stated on the label or CoA.

Good laboratory practice (general, not item-specific)

• Handle in a fume hood with standard PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Avoid inhalation, ingestion, and skin/eye contact.
• Prevent cross-contamination: use clean tools and dedicated spatulas; close containers promptly to minimize hydration/oxidation.
• Incompatibilities are compound-dependent; in absence of structural data, avoid strong oxidizers, strong acids/bases, and reactive reducing agents until compatibility is known.
• First aid (general): in case of skin/eye contact, rinse with water for ≥15 minutes; if inhaled, move to fresh air; if ingested, seek medical attention. Always follow your institution’s EHS protocols.
• Spill response: contain, avoid dust formation/aerosols, collect with inert absorbent, and dispose according to institutional and local regulations.

Notes

• Definitive hazard classification and exposure limits require the Safety Data Sheet (SDS). Perform a risk assessment before use, especially for biological testing where vehicle-related cytotoxicity must be controlled.

Solvent Selection

Item-specific solubility data are not provided. The following guidance is general for small-molecule ligands and should be confirmed experimentally for (R)-YNT-3708.

• Primary stock solvent: DMSO is typically preferred due to broad solubilizing power and compatibility with high-throughput screening (HTS). Start with 10–50 mM stocks at −20°C.
• Alternative solvents (general): DMF, methanol, ethanol, acetonitrile, and PEG-400 (often as co-solvent with DMSO) can aid dissolution of challenging scaffolds. Confirm compatibility with biological assays.
• Aqueous buffers: Direct water solubility is structure-dependent. Use cosolvent dilution into PBS, HBSS, or assay-specific buffers, maintaining final DMSO ≤0.1–1% v/v to minimize vehicle effects.
• Polarity and pH effects: For ionizable compounds, pH adjustments (within assay tolerance) can markedly alter solubility. In the absence of pKa data, avoid extreme pH to prevent degradation.

Quick comparison (general, not item-specific)

• DMSO: highest solvency; widely accepted in screening; hygroscopic; can affect cells at >0.5–1%.
• Ethanol: volatile; moderate solvency; higher assay tolerability; may extract plastics.
• DMF: strong solvency; less common in bioassays; potential cytotoxicity; handle carefully.

Recommendation

• Begin with DMSO stock preparation, verify clarity and stability over 24–48 h at room temperature and 4°C, and run a solubility screen if precipitation is observed upon buffer dilution.

Storage and Reconstitution

• Storage: Store at −20°C (per product data). Keep container tightly closed, desiccated, and protected from light unless otherwise noted on the label.
• Shipping: Ice chest with ice pads (per product data), maintaining a cool chain during transit.

Reconstitution (general, not item-specific)

• Solvent: Use anhydrous DMSO for initial dissolution unless item-specific guidance indicates otherwise. Typical stock concentration: 10–50 mM.
• Aliquoting: Immediately prepare single-use aliquots in amber vials or low-bind microtubes to minimize freeze–thaw and adsorption losses.
• Freeze–thaw: Avoid repeated cycles. Thaw at room temperature, mix gently, and return unused aliquots to −20°C promptly.
• Aqueous dilution: Add DMSO stock to buffer/media with mixing to avoid local supersaturation. Verify clarity; if precipitation occurs, reduce concentration, adjust cosolvent, or gently warm within assay tolerances.

Stability

• Item-specific shelf life, hygroscopicity, light sensitivity, and degradation pathways: Not specified for this item; refer to CoA/Spec Sheet.

Disposal

• Dispose of solutions and residues as organic chemical waste per institutional and local regulations.

Structure and Identity

• SKU: R613350
• Product Name: (R)-YNT-3708
• CAS: 2923137-94-2
• InChIKey: 54305 (as provided; full InChIKey not specified for this item; refer to CoA/Spec Sheet.)
• 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

• The designation “(R)” indicates a single defined enantiomer; the absolute configuration at one (or more) stereocenter(s) is R. The exact stereochemical centers and functional groups are not specified in the product data.
• Based on its naming and placement in a small-molecule compound library, (R)-YNT-3708 is a chiral, low–molecular-weight organic ligand-type research compound. Detailed ring systems and functional motifs are not provided in the current listing.

Notes

• Item-specific identifiers beyond CAS and the abbreviated InChIKey have not been disclosed. For definitive structural confirmation (2D/3D depictions, NMR characterization, and mass), please consult the Certificate of Analysis (CoA) or request the full structure disclosure if available under your project’s authorization.

Synthetic Utility

This product is offered as a finished, enantiopure small-molecule ligand for research and screening, not as a general-purpose synthetic building block.

Given the absence of disclosed structure, functional group–specific chemistry, named reactions, and derivatization routes cannot be recommended for this item.

General considerations for users who may derivatize related scaffolds (not item-specific)

• If analog work is contemplated, typical strategies include installation/replacement of peripheral substituents for SAR, chiral resolution or asymmetric synthesis to access the enantiomeric series, and introduction of handles for bioconjugation (e.g., amine, azide, alkyne), subject to IP and availability of structural information.
• Ensure retention of stereochemical integrity during any chemical manipulation; apply chiral chromatographic checks and/or CD spectroscopy as appropriate.

Conclusion

• Treat (R)-YNT-3708 primarily as a research ligand. For synthetic applications, obtain the full structural disclosure and consult the CoA for guidance on functional group compatibility.

Target Specificity

Item-specific biological target(s), binding constants, or selectivity profiles for (R)-YNT-3708 are not provided in the product data.

• Target/epitope/clone/isotype fields are not applicable to small molecules and are intended for biologics/antibodies.
• For project-specific disclosure, consult your internal records or contact Aladdin Scientific with appropriate authorization.

Summary

• Target specificity: Not specified for this item; refer to CoA/Spec Sheet or internal project documentation.

Häufig gestellte Fragen

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.