YG1702 - ≥99% , CAS No.724737-08-0

CAS: 724737-08-0 Cat. No.: Y1440388 Formula: C₂₃H₃₀N₂O₇S Molecular Weight: 478.56

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

YG1702 is a potent ALDH18A1 -specific inhibitor. YG1702 attenuates the growth of MYCN-amplified NB and down-regulates MYCN. YG1702 physically interacts with ALDH18A1 with a high affinity and might potentially affect its enzymatic activity.

Specifications

Specifications & Purity

≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥99%

Names and Identifiers

Molecular Weight

478.56

Application Protocols

No validated application protocols are provided for YG1702 in the Product Data.

General starting points for screening compounds (not item-specific):

• Stock preparation: Dissolve in anhydrous DMSO to 10–20 mM. Vortex to clarity. Aliquot into low-bind tubes or assay plates. Store at −20 °C.
• Biochemical enzyme assays: Prepare a serial dilution (e.g., 10-point 1:3 series) in DMSO. Transfer to assay buffer to achieve final DMSO ≤1% v/v. Include matched vehicle controls and, when available, a positive control reference ligand.
• Cell-based assays: Verify carrier tolerability (often ≤0.1–0.5% DMSO). Add compound to media shortly before dosing. Consider adsorption losses to plastics and serum components; use low-bind consumables as needed.
• Orthogonal confirmation: Replicate hits in a second assay modality (e.g., switch from fluorescence to luminescence or label-free) and perform counterscreens against common interferences.
• Data quality: Include inter-plate controls, track Z′ factor, and monitor compound precipitation or color/fluorescence that may confound readouts.

Item-specific directions (dilutions, incubation times, reference standards): Not specified for this item; refer to CoA/Spec Sheet or develop internally.

Biological Roles

Item-specific biological function, targets, or pathways are not provided for YG1702.

General context for small-molecule library members (not item-specific; no medical claims):

• Role in discovery: Library compounds serve as chemical probes under evaluation to modulate or report on biological macromolecules (enzymes, receptors, transporters) in controlled research assays. Any such roles are hypothetical until validated experimentally.
• Assay modalities: Compounds may be explored in biochemical enzyme assays, binding assays (e.g., SPR, ITC), thermal shift assays (DSF), phenotypic cell assays, or target deconvolution workflows (chemoproteomics). Compatibility depends on solubility, stability, and lack of assay interference.
• Potential liabilities: Pan-assay interference compounds (PAINS), redox cyclers, metal chelators, or aggregation-based inhibitors can generate artifactual readouts. Employ orthogonal assay formats, counter-screens, and detergent tests to rule out nonspecific mechanisms.
• ADME-relevant characteristics: Without structure, no predictions can be made. If structure becomes available, in silico profiling (cLogP, TPSA, pKa) and basic in vitro panels (solubility, microsomal stability, permeability) can help contextualize observed biological signals.

Important: The product is for research use only. No claims are made regarding biological activity, safety, or efficacy in vivo or in humans. All biological roles must be determined empirically by the end user.

Buffer Applications

Buffer-specific roles cannot be assigned without structural and pKa information.

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

General assay-buffer guidance for library compounds (not item-specific):

• Stock preparation: Dissolve in anhydrous DMSO to a convenient concentration (commonly 10–20 mM). Store aliquots at −20 °C. Thaw quickly, mix, and return unused portions to cold storage to limit freeze–thaw.
• Dilution into buffers: Add the DMSO stock last to well-mixed assay buffer (e.g., HEPES, Tris, PBS) to reduce local supersaturation. Keep final DMSO ≤0.5–1% v/v unless the assay tolerates more.
• Precipitation checks: After dilution, visually inspect and, if needed, centrifuge plates briefly to sediment particulates. For light-scattering sensitive assays, consider 0.01–0.05% nonionic surfactant to mitigate aggregation, if compatible.
• pH considerations: Without pKa, avoid dramatic pH shifts. Maintain standard buffer ranges (HEPES pH 7.4, Tris pH 7.5–8.0) unless the biology dictates otherwise.
• Adsorption: Hydrophobic compounds may adsorb to plastic. Use low-bind plates or precondition wells with assay buffer containing protein or detergent where permitted.

Note: This section provides practical buffer-handling tips rather than prescribing a specific buffering system for YG1702, which is not defined.

Green Alternatives

Because the structure and solvent preferences of YG1702 are not provided, green chemistry considerations focus on general practices for handling screening compounds and their common solvents.

• Item-specific green data: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (not item-specific):

• Solvent footprint:
  • DMSO is commonly used for stocks; while relatively benign compared to many aprotic solvents, aim to minimize volumes and prevent contamination of aqueous waste streams.
  • For synthesis or workup steps (if undertaken), consider greener solvents where feasible: 2-methyltetrahydrofuran (2-MeTHF), ethyl acetate, methyl tert-butyl ether (MTBE), propylene carbonate, or CPME as alternatives to chlorinated or high-toxicity aprotics.

Comparison snapshot (literature; not item-specific):

• DCM/CHCl3 vs EtOAc/2-MeTHF:
  • DCM/CHCl3: High volatility, toxicity, and environmental persistence; often avoidable.
  • EtOAc/2-MeTHF: Improved safety and sustainability profiles; suitable for many extractions and chromatographies; note peroxidable ethers require inhibitor monitoring and periodic testing.
• DMF/NMP vs Cyrene/PC:
  • DMF/NMP: Reprotoxic concerns; regulatory scrutiny.
  • Cyrene (dihydrolevoglucosenone) or propylene carbonate: Greener alternatives for some polar-aprotic roles, though with different solvation characteristics and viscosity.

Operational green tips:

• Use microscale solubility screens to avoid unnecessary solvent consumption.
• Recycle high-purity solvents where validated.
• Employ analytical-scouting gradients to reduce runtime and solvent per injection.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation information is provided for YG1702. This product is offered strictly for research use; it is not intended for human or veterinary applications.

General discovery-stage context (not item-specific; no medical claims):

• Early-stage tool compound: Screening hits are sometimes advanced as chemical probes in preclinical research settings after extensive validation and characterization (potency, selectivity, stability). Such activities are outside the scope of this catalog entry and must be determined by the end user.
• Formulation for research dosing (if pursued internally): Without structural data, no specific vehicle recommendations can be made. Typical preclinical research vehicles include aqueous buffers with cosolvents (e.g., DMSO/PEG400/ethanol/saline), but selections require compound-specific solubility and stability data.
• Regulatory considerations: Not GMP-manufactured unless explicitly stated. No compendial monographs or GMP documentation are claimed. For any regulated use, a qualified GMP-grade source and full CMC package would be required.

Item-specific statements:

• Grade/purity: Not specified for this item; refer to CoA/Spec Sheet.
• Intended use: For research use only.
• Stability, impurity profile, residual solvents: Not specified for this item; refer to CoA/Spec Sheet.

Bottom line: Do not use this material for clinical, diagnostic, or therapeutic purposes.

Physical Properties

Item-specific properties provided: None beyond storage and shipping logistics.

• Item-specific (from Product Data):
  • Appearance: 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.
  • Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
  • Boiling point (BP): 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 (typically for liquids); refer to CoA/Spec Sheet if applicable.
  • Solubility: Not specified for this item; refer to CoA/Spec Sheet.
  • LogP/pKa: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule library members (literature/best practice; not item-specific):

• Most screening compounds are supplied as solids or as DMSO stock solutions (e.g., 10–20 mM). Without structural data, default solubilization is into anhydrous DMSO, followed by dilution into assay buffers immediately before use.
• If the compound is poorly soluble in water, co-solvents (DMSO ≤1–2% final v/v in biochemical assays) or surfactants (e.g., 0.01–0.05% Tween-20) may be employed, subject to assay tolerance.
• Hygroscopicity, polymorphism, and hydrate formation can influence handling and assay reproducibility. If appearance or weight changes are observed upon ambient exposure, minimize air contact (work quickly under dry atmosphere) and re-verify concentration by qNMR or LC–MS.
• For any thermal characterization (DSC/TGA) or solubility screening, perform small-scale tests first to establish suitable storage and handling ranges.

Quality & Grades

• Item-specific (from Product Data):
  • Grade/purity: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (not item-specific):

• Screening-library compounds are typically supplied at high chemical purity (e.g., ≥95% by HPLC), but exact specifications, assay methods (HPLC/UPLC, GC, LC–MS), and acceptance criteria vary by vendor and lot. Always consult the CoA for the definitive purity and analytical methods used (wavelengths, gradients, columns).
• Identity confirmation commonly includes LC–MS and occasionally NMR. Some vendors provide residual solvent and water content by GC and Karl Fischer, respectively. If such data are critical for your workflow (e.g., medicinal chemistry or biophysical assays), request the full analytical packet.
• Low-UV absorbance, metal content, and stabilizers: Not specified for this item; refer to CoA/Spec Sheet. If the compound will be used in photometric assays or metal-catalyzed reactions, verify the UV profile and trace metals as needed.
• Lot-to-lot consistency: Record lot numbers and retain an analytical snapshot upon receipt (e.g., in-house LC–MS) to track stability and performance across experiments.
• If supplied in DMSO: Confirm concentration by gravimetry and/or qNMR. For long-term plate storage, test a subset for purity drift over time (e.g., 3–6 months) using UPLC.
• Stability statements and re-test periods: Not specified for this item; refer to CoA/Spec Sheet.

Reaction & Applications

This catalog entry represents a screening-library compound, not a general-purpose reagent. Reaction chemistry guidance is therefore limited.

• Item-specific application notes: None provided in the Product Data.

General research applications for library members (not item-specific):

• High-throughput screening (HTS) and focused screening in biochemical, biophysical, or cell-based assays to identify hits.
• Orthogonal confirmation assays (e.g., alternative readouts, biophysical binding tests) to triage false positives.
• Reference control in SAR expansions once the structure and activity are established in-house.
• Analytical benchmarking (e.g., LC–MS method development, retention-time markers) within a series.

If structure becomes available, additional reagent-like applications can be considered only when relevant functional groups are known (e.g., as a coupling partner, protecting-group handle, or intermediate). In the absence of this information, do not plan named reactions or scale-up synthesis around this item.

Practical tips:

• Maintain compounds as DMSO aliquots at −20 °C to minimize freeze–thaw cycles; record plate maps meticulously to avoid well swaps.
• Verify integrity after storage using quick LC–MS. Watch for hydrolysis/oxidation products upon extended ambient handling.
• For cell assays, pre-screen for cytotoxicity attributable to solvent carrier to set acceptable DMSO ceilings (often 0.1–0.5% v/v).

Reaction Conditions

No reaction conditions can be recommended for YG1702 as a reagent because the structure and functional groups are not provided.

General guidance for handling small molecules in analytical and assay workflows (not item-specific):

• Dissolution: Prepare concentrated DMSO stocks (e.g., 10–20 mM). Brief sonication and gentle warming (≤37 °C) may aid dissolution. Filter through 0.2 µm PTFE if particles persist and the compound is DMSO-soluble.
• Stability checks: Run short-gradient LC–MS immediately after preparation and after a freeze–thaw cycle to assess stability. Watch for new peaks indicative of hydrolysis/oxidation.
• Light/air sensitivity: If unknown, handle under subdued light, cap vials promptly, and consider an inert atmosphere when weighing.
• Assay dilution: Add stocks last to tempered buffer to minimize precipitation. Verify that final DMSO content matches control wells.

If synthetic use is intended after structure disclosure (literature guidance only):

• Select solvents and bases/acids according to the functional groups (e.g., amide couplings in DMF/DIPEA with coupling reagents; cross-couplings in dioxane/water with Pd catalysts). Without functional-group data, do not assume compatibility.

Item-specific parameters (temperature ranges, catalysts, equivalents, time, yields): Not specified for this item; refer to CoA/Spec Sheet or internal method development.

Safety & Handling

Safety data specific to this item are not provided in the Product Data. Always consult the SDS for authoritative information.

• Item-specific (from Product Data):
  • GHS classification: Not specified for this item; refer to SDS.
  • Pictograms: 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.
  • Storage: Store at −20 °C.
  • Shipping: Ice chest + ice pads.

General laboratory precautions (best practice; not item-specific):

• PPE: Laboratory coat, safety glasses or goggles, and appropriate chemically resistant gloves (e.g., nitrile). Work in a certified chemical fume hood when handling powders or volatile solvents.
• Avoid inhalation of dust/aerosols and skin contact; use local exhaust ventilation when weighing solids. Clean spills with inert absorbent; avoid generating dust.
• Incompatibilities: Unknown for this specific compound. As a precaution, segregate from strong oxidizers, strong acids/bases, and moisture until the compound’s stability is confirmed.
• First aid (overview; defer to SDS): If inhaled—move to fresh air; seek medical attention if symptoms occur. Skin/eye contact—rinse with water for at least 15 minutes; remove contaminated clothing; seek medical attention if irritation persists. If ingested—rinse mouth; do not induce vomiting unless directed by medical personnel.
• Waste: Dispose in accordance with institutional chemical waste procedures; do not discharge to drains.
• Special notes for screening compounds: Use low-temperature storage and minimize freeze–thaw cycles to reduce degradation; aliquot upon first use.

Solvent Selection

• Item-specific solubility data: Not specified for this item; refer to CoA/Spec Sheet.

General selection principles for small-molecule screening compounds (literature/practice; not item-specific):

• Primary stock solvent: Anhydrous DMSO is the default for discovery libraries because of broad solubilizing power and compatibility with biochemical and cell-based assays at low final concentrations (typically ≤0.5–1% v/v).
• Secondary solvents for preparative work: Depending on functional groups (unknown here), candidates include DMF, NMP, acetone, MeOH/EtOH, acetonitrile, ethyl acetate, toluene, or THF. Begin with a solubility micro-screen across polar aprotic and protic solvents.
• Aqueous compatibility: For assay use, dilute DMSO stocks into buffer immediately before testing. Include a matched DMSO vehicle control in every experiment.
• Tips for difficult solubilization:
  • Warm gently (≤37 °C) and vortex/sonicate briefly. Avoid prolonged heating.
  • Adjust pH only if the compound’s acid/base character is known; without pKa information, avoid strong pH shifts to prevent degradation.
  • Use co-solvents (ACN, MeOH) sparingly in analytical injections to prevent precipitation in aqueous mobile phases.
• Comparative note:
  • DMSO vs DMF/NMP: DMSO is generally preferred for biological assays due to lower toxicity footprint at ≤1% and better historical compatibility; DMF/NMP may be considered for synthetic manipulations or intermediate processing where assay compatibility is not required.

Storage & Reconstitution

• Item-specific storage (from Product Data): Store at −20 °C. Shipped in an ice chest with ice pads.
• Item-specific appearance, stabilizers, and solvent of supply: Not specified for this item; refer to CoA/Spec Sheet.

General reconstitution guidance for small-molecule library compounds (not item-specific):

• Upon receipt: Allow container to equilibrate to room temperature in a desiccator before opening to minimize condensation. Inspect for integrity and any signs of moisture ingress.
• Reconstitution solvent: Use anhydrous DMSO for initial stock solutions (typical 10–20 mM). If water solubility is expected but unverified, perform a micro-solubility test before committing material.
• Aliquoting: Prepare single-use aliquots in low-bind vials/plates to minimize freeze–thaw cycles. Label with compound ID, lot, concentration, solvent, and date.
• Storage: Keep aliquots at −20 °C protected from light. Avoid frost-free freezers with frequent temperature cycling. For plate storage, seal with solvent-resistant films; use secondary containment to limit evaporation.
• Stability checks: Periodically assess by LC–MS or UPLC for degradation. If significant changes occur, prepare fresh stocks from solid or newer aliquots.
• Thaw/use: Thaw rapidly at ambient temperature, vortex to homogeneity, and return unused aliquots to −20 °C promptly. Avoid repeated warming.

Item-specific shelf life and re-test period: Not specified for this item; refer to CoA/Spec Sheet.

Structure & Identity

Brief overview: This product is listed as a small-molecule library member (catalog designation YG1702), intended for research screening and discovery workflows.

• Item-specific (from Product Data):
  • SKU: Y1440388
  • Product name: YG1702
  • CAS: 724737-08-0
  • Category: 小分子和化合物库 (small molecules and compound libraries)
  • Storage: Store at −20 °C
  • Shipping: Ice chest + ice pads
  • Research use: For research use only
• Structure descriptors (item-specific):
  • 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.
• Structural features (general note):
  • No structure, functional groups, or stereochemical information are provided in the Product Data. Refer to the product’s Certificate of Analysis (CoA), specification sheet, or SDS for definitive identifiers.
• Practical identity guidance (general):
  • If you receive this item as a solid, standard verification options include LC–MS and 1H/13C NMR against supplier-provided reference spectra (when available).
  • If the item is supplied in DMSO or another solvent, confirm concentration using UV–Vis (if a known extinction coefficient is provided in documentation) or quantitative NMR (qNMR) with an internal standard.
  • For screening-library context, assign a stable internal ID, link to CAS 724737-08-0, and maintain chain-of-custody and lot traceability for hit validation and repeat assays.

Synthetic Utility

As supplied, YG1702 is positioned as a screening-library compound rather than a synthetic building block. No functional group data are provided, so prescriptive synthetic uses cannot be assigned.

General considerations (not item-specific):

• If structural information becomes available and indicates reactive handles (e.g., aryl halides, boronates, carboxylic acids, amines), the compound or its close analogs could participate in standard transformations (amide coupling, Suzuki–Miyaura, Buchwald–Hartwig, reductive amination, etc.). In the absence of such data, this is purely hypothetical.
• Analytical utility: Library compounds can still be valuable as reference materials for LC–MS retention-time indexing, method robustness checks, or as internal/external standards after characterization and purity assessment.
• Derivatization for target ID: When structure is known, analogs bearing photoaffinity groups or bioorthogonal tags (e.g., alkyne/azide for CuAAC) are often prepared for chemoproteomics. This requires bespoke synthesis informed by SAR; not applicable without structure.

Item-specific notes:

• Functional groups, protecting groups, and reactivity: Not specified for this item; refer to CoA/Spec Sheet.
• Stability to acids/bases, redox conditions, or heat: Not specified for this item; verify experimentally on milligram scale before any synthetic manipulation.

Conclusion: Treat YG1702 primarily as a screening entity; reserve synthetic deployment until definitive structural details are available.

Target Specificity

• Item-specific data: No target, pathway, enzyme/receptor class, or selectivity profile is provided for YG1702.

General discovery guidance (not item-specific):

• Screening phase: Treat the compound as target-agnostic until you obtain reproducible activity in orthogonal assays. Confirm that signals are not driven by aggregation, redox cycling, fluorescence interference, or assay component reaction (e.g., with detection reagents).
• Selectivity assessment: If activity is observed, expand profiling to related protein families and common off-target panels suitable for the modality (e.g., kinases, GPCRs, ion channels), guided by the emerging SAR.
• Biophysical confirmation: Use DSF, SPR, ITC, or CETSA to establish direct binding where feasible. Map binding mode via mutagenesis or structural biology once a target is nominated.
• Chemical liability filters: Evaluate substructures for PAINS and reactive functionalities once the structure is known.

Important: Without item-specific data, no claims are made about target specificity or mechanism. All specificity information must be generated by the end user.

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 724737-08-0, the molecular formula is C23H30N2O7S, and the molecular weight is 478.56 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.