SHP504 , CAS No.2222280-83-1

CAS: 2222280-83-1 Cat. No.: S1439059 Formula: C₂₃H₁₅ClN₄O₄ Molecular Weight: 446.84

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

SHP504 is a SHP2 phosphatase inhibitor, with an IC 50 of 21 μM for SHP2 1–525.

Specifications

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.

Names and Identifiers

• Molecular Weight: 446.84

Application Protocols

No vendor-tested biological application protocols are provided for this item. The following are general, non–item-specific practices for small-molecule screening compounds:

• DMSO stock preparation
  • Warm to room temperature in a desiccated environment. Add dry DMSO to achieve 10–50 mM. Vortex/sonicate until clear. Aliquot into amber microtubes, flush with inert gas if oxidation is a concern, and store at −20 °C or colder.
• Plate setup for HTS
  • Use acoustic or pin-tool transfer where available. Keep DMSO constant across wells. Include vehicle controls and positive/negative assay controls. Seal plates to limit evaporation.
• Cell-based assays
  • Confirm compound compatibility with serum/proteins. Titrate over a broad range (e.g., 0.03–30 µM) with appropriate replicates. Monitor for cytotoxicity/interference using orthogonal readouts.
• Data quality
  • Validate concentration by analytical means when possible. Track freeze–thaw cycles. Inspect for precipitation visually and by absorbance scattering.

These steps are provided as general guidance only; adapt to your assay platform and consult the SDS and CoA for any item-specific instructions once available.

Biological Roles

• Item-specific biological role/target: Not specified for this item; refer to product dossier or literature if available for SHP504.

General considerations for small-molecule screening compounds (not item-specific)

• Putative roles: Screening molecules are evaluated for modulation of enzyme activity, receptor binding, signaling pathway perturbation, or phenotypic effects. Assignment of a definitive “biological role” requires validated target data and is not included in the Product Data.
• Off-target/PAINS considerations: Assess potential assay interference using orthogonal assays and counterscreens. Apply substructure PAINS filters cautiously and confirm with biophysical validation.
• ADME-relevant properties: In vitro studies commonly measure solubility, permeability (PAMPA/Caco-2), microsomal stability, and protein binding. None of these parameters are specified for this item and, if needed, should be generated experimentally.
• Data integrity:
  • Report exact lot and concentration (verified by UV/HPLC against a standard if possible).
  • Control for DMSO concentration and potential vehicle effects.

This product is provided strictly for research use. No claims are made regarding therapeutic relevance, efficacy, or safety in humans or animals.

Buffer Applications

This product is a small-molecule screening compound and is not itself a buffering agent. Therefore, conventional buffer system recipes (e.g., phosphate, HEPES, Tris) are not directly applicable.

Practical notes for assay buffers (general guidance, not item-specific)

• Choose buffers that maintain target stability and activity (commonly PBS, HEPES, or Tris) at appropriate ionic strength.
• Control solvent content: Keep DMSO/organic co-solvents at assay-tolerated levels and constant across wells.
• Mitigate aggregation: Include 0.01–0.05% nonionic surfactant (e.g., Tween-20) if compatible with the readout.
• pH considerations: If the compound is ionizable (unknown here), assay pH can strongly influence solubility and apparent potency; run pH robustness checks where relevant.

Green Alternatives

Because SHP504 is a screening compound rather than a process solvent or commodity reagent, “green alternatives” focus on greener handling of stocks and assay media rather than substituting the compound itself.

Greener handling strategies (general guidance)

• Solvent minimization: Prepare the highest practical DMSO stock concentration to reduce solvent volumes in assays; keep final DMSO at or below assay tolerance (often ≤0.5–1% v/v).
• Alternative co-solvents: Where compatible, consider water/biobased co-solvents (e.g., glycerol, PEG400) in small fractions to reduce reliance on volatile organic solvents.
• Waste reduction: Consolidate plate-based assays to minimize dead volumes; employ sealed, low-evaporation plates to reduce solvent loss.
• Energy-efficient storage: Aliquot to minimize freeze–thaw and reduce repeated door openings of −20 °C freezers; use inventory management to prevent redundant re-synthesis or re-ordering.

Comparison of common stock solvents (general, not item-specific)

• DMSO: Broad solubility, low volatility, widely accepted in bioassays; not renewable, requires PPE due to dermal penetration enhancement.
• Ethanol: Renewable routes available; limited solubility for many hydrophobes; volatility can complicate assay reproducibility.
• Water/buffer: Greenest option when feasible; limited by compound ionization and solubility.

For process chemistry contexts (if applicable), selection of greener reaction solvents is not relevant here due to the product’s intended screening use.

Pharmaceutical Uses

No pharmaceutical or excipient uses are specified for this item. SHP504 is offered for research use only and is not intended for human or veterinary applications.

General notes (not item-specific)

• Screening/lead identification: Compounds in small-molecule libraries are commonly used at discovery stages to identify hits in biochemical or cell-based assays.
• Manufacturing/formulation: Without established safety/quality dossiers (e.g., pharmacopeial monographs, GMP status), library compounds are not suitable as pharmaceutical excipients or actives.
• If pre-formulation studies are pursued for research, determine solubility in pharmaceutically acceptable vehicles, stability under ICH conditions, and compatibility with packaging materials—none of which are specified for this item.

Physical Properties

Item-specific physical data have not been provided in the Product Data for SHP504.

• Item-specific values
  • 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.
  • UV–Vis properties, λmax, extinction coefficient: Not specified for this item; refer to CoA/Spec Sheet.
  • Solubility: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule library compounds (literature/practice, not item-specific)

• Many screening compounds are provided as solids and are reconstituted in anhydrous DMSO at 10–50 mM for storage as aliquots at −20 °C to −80 °C.
• If aqueous work is required, co-solvents such as DMSO (≤1–2% v/v final), ethanol (≤1% v/v), or PEG400 can assist dissolution. Assess precipitation visually and by UV or HPLC.
• If the compound is chromophoric/aromatic, typical UV monitoring ranges include 210–280 nm; confirm λmax from CoA before quantitative use.

Note: When exact physicochemical parameters are needed (logP, pKa, exact solubility, hygroscopicity), consult the lot-specific CoA/Spec Sheet or request additional technical data.

Quality & Grades

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

Context and expectations for small-molecule library compounds (general guidance)

• Typical deliverables include an identity confirmation (e.g., LC–MS) and a purity measure (e.g., HPLC area %). If your application is biophysical or cellular, a purity of ≥95% is commonly targeted, but always verify the value on your CoA.
• “Library” compounds are often packaged for screening throughput and may be supplied as solids or pre-weighed to facilitate DMSO stock preparation. Residual solvent content, salt form, and water content may be reported—check the lot documentation.
• Stabilizers or counterions: If present, they will be declared on the CoA/label. Absence of such information here means it is not specified for this item.
• What grade means for your workflow
  • Analytical/HTS use: Low UV background and defined purity profile support reproducible plate-based assays.
  • Medicinal chemistry use: Access to structure, impurity profile, and salt form enables SAR interpretation.

Recommendations

• Record the exact lot number, reported purity method (HPLC/UPLC, detection wavelength), and any residual solvent peaks before use.
• If your work is light-, redox-, or peroxide-sensitive, request UV cutoff, inhibitor/stabilizer status, and metal content where relevant. When not provided, run in-house QC as required for your application.

Reaction & Applications

This product is categorized as a small-molecule/library compound intended primarily for screening, target discovery, or assay development rather than as a synthetic reagent. No manufacturer application notes are provided for this specific item.

Applicable research uses (general; not item-specific)

• Biochemical/cellular screening: Use as a test article in enzyme/cell-based assays to evaluate phenotypic or target-related responses.
• Binding/biophysical studies: Assess interactions via DSF, SPR, ITC, MST, or NMR. Verify solubility and absence of aggregation (e.g., detergent controls, dynamic light scattering, Hill slope analysis).
• Analytical reference: Serve as a chromatographic or spectral reference once identity/purity are confirmed.

Practical tips

• Prepare fresh DMSO stocks, filter (0.22 µm PTFE) if compatible, and aliquot to avoid freeze–thaw cycles.
• Monitor compound integrity over time (HPLC–PDA, LC–MS). Light- and oxygen-sensitivity are not specified—use amber vials and inert headspace if degradation is suspected.
• Avoid assay interferences: Test for redox cycling, fluorescence quenching/auto-fluorescence (especially in 300–600 nm range), and nonspecific aggregation (include detergent controls and counter-screens).

Note: Without disclosed structure or intended target, specific reaction chemistry (e.g., named reactions) is not applicable to this item.

Reaction Conditions

Detailed reaction conditions are not applicable here because SHP504 is offered as a screening compound rather than a reagent for conducting specific named reactions, and its structure/functionality are not disclosed in the Product Data.

General laboratory handling conditions (not item-specific)

• Stock preparation: Dissolve in dry DMSO to 10–50 mM as solubility permits; sonicate or gently heat (≤37 °C) briefly if needed. Filter through 0.22 µm PTFE if particulate remains and the compound is stable.
• Assay use: Dilute stocks into assay buffer or media to the desired concentration, maintaining constant vehicle percentage across samples and controls. Pre-wet pipette tips with DMSO to improve volumetric accuracy at low microliter transfers.
• Stability checks: Periodically analyze by HPLC/LC–MS to monitor for degradation, especially after multiple freeze–thaw events or prolonged room-temperature exposure.

For chemical synthesis use-cases, please refer to compound-specific structure and functional group data (not provided here) to derive appropriate reaction conditions from the literature.

Safety & Handling

Safety data specific to SHP504 are not provided in the Product Data. Always consult the SDS for authoritative information.

• GHS/Classification (item-specific)
  • Signal Word: Not specified for this item; refer to SDS.
  • Hazard Statements (H-Statements): Not specified for this item; refer to SDS.
  • Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (good practice; not item-specific)

• Handle in a fume hood and avoid inhalation, ingestion, and skin/eye contact. Wear appropriate PPE: lab coat, safety glasses, and suitable chemical-resistant gloves (e.g., nitrile). Consider double-gloving for DMSO solutions that can enhance dermal absorption.
• Avoid incompatible materials until known: strong oxidizers/reductants, strong acids/bases, and reactive metals. Store segregated from foodstuffs and incompatible chemicals.
• First aid overview: In case of skin contact, wash with soap and water; for eye contact, rinse with water for ≥15 minutes and seek medical attention. If inhaled, move to fresh air; if ingested, seek medical advice. Refer to SDS for detailed measures.
• Spill and disposal: Absorb small spills with inert material, containerize, and dispose of according to institutional and local regulations. Prevent release to drains.
• Special risks (general): Some screening molecules may be light- or air-sensitive; minimize exposure to light and moisture. Use amber vials and inert atmosphere when recommended by the CoA.

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

Solvent Selection

Item-specific solubility and solvent preferences are not provided. The following guidance reflects common practice for small-molecule screening compounds (general, not item-specific):

• Primary stock solvent
  • DMSO is typically preferred due to broad solvating power and assay compatibility. Begin with 10–50 mM stocks at room temperature, sonication if needed.
• Secondary solvents/co-solvents
  • Ethanol or methanol can assist dissolution; PEG400 or propylene glycol may be used for higher-load formulations. For aqueous assays, limit DMSO ≤1–2% v/v final where possible.
• Aqueous work
  • Use buffer systems compatible with your assay (e.g., PBS, HEPES). Consider surfactants (0.01–0.05% Tween-20) to mitigate aggregation for hydrophobic chemotypes.
• Solvent screening workflow
  1. Start with dry DMSO; 2) Evaluate clarity and stability over 24–48 h at RT and 4 °C; 3) Test dilution into target media; 4) Confirm by HPLC/UPLC for precipitation or degradation.

Comparison (general)

• DMSO vs DMF: DMSO is more biocompatible but can enhance skin absorption—use PPE. DMF is generally avoided in bioassays due to toxicity.
• DMSO vs aqueous buffer: Aqueous buffers are preferred for final assay conditions, but solubility limits and stability may require co-solvent strategies.

Note: For definitive solvent recommendations, consult the compound-specific CoA/solubility note if provided.

Storage & Reconstitution

Item-specific instructions from Product Data

• Storage Conditions: Store at −20 °C.
• Shipped In: Ice chest + Ice pads.

Additional guidance (general best practice; not item-specific)

• Protect from light and moisture. Store as a dry solid in a tightly closed, inert-atmosphere vial when possible. If supplied in solution, maintain sealed, desiccated, and cold.
• Reconstitution: Not specified for this item; refer to CoA/Spec Sheet.
  • Common practice for screening compounds is dissolution in anhydrous DMSO to prepare 10–50 mM stocks. If aqueous solubility is required, dilute into buffer with gentle mixing; consider co-solvents or surfactants if precipitation occurs.
• Aliquoting: Prepare single-use aliquots to avoid repeated freeze–thaw. Label with compound ID, lot, concentration, solvent, and date.
• Stability monitoring: Periodically check integrity by HPLC/LC–MS and inspect for color change or precipitation. Discard if degradation is detected.
• Thawing: Warm vials to room temperature before opening to minimize condensation. Briefly centrifuge to collect contents. Reseal quickly after use.

Note: Specific shelf-life, solution stability, and solubility values are not provided here and should be obtained from the lot-specific CoA or by in-house qualification for your application.

Structure & Identity

Brief overview: This listing refers to SHP504, a small-molecule screening compound offered within a chemical library context.

• Item-specific identifiers (from Product Data)
  • SKU: S1439059
  • Product Name: SHP504
  • CAS: 2222280-83-1
  • Category Path: 全部 / 可售 / 小分子和化合物库
  • Storage: Store at -20°C (item-specific)
  • Shipped In: Ice chest + Ice pads (item-specific)
  • Research Use: For research use only (item-specific)
• Structure descriptors
  • 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 guidance)
  • As a “small-molecule library” entry, SHP504 is expected to be an organic molecule intended for screening/assay development. Specific ring systems, functional groups, stereochemistry, and heteroatoms are not provided here. Consult the CoA or structure sheet supplied with your lot.
• Practical identity notes
  • Verify identity by the supplied Certificate of Analysis (e.g., LC–MS, HPLC trace, NMR if provided). Match CAS and internal catalog code prior to use.
  • If using for SAR or reference screening, record the exact batch/lot and any structural annotations from the vendor documents to ensure reproducibility across experiments.

Synthetic Utility

Synthetic building-block or reagent utility cannot be described for SHP504 because no structural information or functional group data are provided in the Product Data.

General guidance (not item-specific)

• If SHP504 is to be derivatized for SAR purposes, consult the disclosed structure (when available) to identify vectors for substitution and protect/reactive groups accordingly.
• Prior to any synthetic manipulation, confirm identity and purity by orthogonal methods (LC–MS, 1H/13C NMR where feasible) and document the salt form.
• For route scouting or analog generation, capture impurity profiles and ensure that transformations preserve stereochemistry (if applicable) and do not introduce assay-interfering motifs.

If you require a reagent-grade precursor or a specific functional group handle, please contact technical support with the structure to recommend appropriate synthetic routes and compatible reaction conditions.

Target Specificity

• Item-specific target/biological specificity: Not specified for this item; no target, pathway, or selectivity profile is provided in the Product Data.

Guidance for determining specificity (general; not item-specific)

• Use orthogonal assay formats (biochemical vs. cellular) and counterscreens against related targets to assess selectivity.
• Employ biophysical binding methods (SPR, ITC, DSF) to corroborate mechanism and rule out aggregation or covalent artifacts.
• Generate basic selectivity panels relevant to your program (e.g., kinases, GPCRs, proteases), and confirm concentration–response behavior with proper controls.

Note: Any claims of specificity should be based on your own validated data or vendor-supplied dossiers; none are provided for SHP504 in this listing.