SR18662 - ≥99% , CAS No.S414256

CAS: S414256 Cat. No.: S414256 Formula: C₁₆H₁₉Cl₂N₃O₄S Peso molecolare: 420.31

QUALITÀ & PUREZZA ≥99%

Synonyms

(E)-3-(3,4-dichlorophenyl)-N-(2-(4-(methylsulfonyl)piperazin-1-yl)-2-oxoethyl)acrylamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

SR18662 SR18662 is an optimized compund based on ML264 that inhibits Krüppel-like factor 5 (KLF5) with IC50 of 4.4 nM. SR18662 reduces the viability of multiple colorectal cancer cell lines. SR18662 induces apoptosis .

Targets

KLF5 (Cell-free assay) 4.4 nM

In vitro

Treatment with SR18662 significantly reduces growth and proliferation of CRC cells. SR18662 shows improved efficacy in reducing viability of multiple CRC cell lines. Flow cytometry analysis following SR18662 treatment shows an increase in cells captured in either S or G2/M phases of the cell cycle and a significant increase in the number of apoptotic cells. SR18662 treatment also reduces the expression of cyclins and components of MAPK and WNT signaling pathways.

In vivo

A significant dose-dependent inhibition of xenograft growth in mice is observed following SR18662 treatment that exceeds the effect of ML264 at equivalent doses. SR18662 is potential for colorectal cancer therapy.

Cell Research(from reference)

Cell lines：DLD-1, HCT116, HT29 and SW620 colorectal cancer cell lines 

Concentrations：0.001 μM-20 μM 

Incubation Time：24 h 

Specifiche

Sinonimi

(E)-3-(3,4-dichlorophenyl)-N-(2-(4-(methylsulfonyl)piperazin-1-yl)-2-oxoethyl)acrylamide

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

SR18662 is an optimized compund based on ML264 that inhibits Krüppel-like factor 5 (KLF5) with IC50 of 4.4 nM. SR18662 reduces the viability of multiple colorectal cancer cell lines. SR18662 induces apoptosis.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

Sorrisi canonici

C[S](=O)(=O)N1CCN(CC1)C(=O)CNC(=O)/C=C/C2=CC(=C(Cl)C=C2)Cl

Peso molecolare

420.31

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 84 mg/mL (199.85 mM); Water: Insoluble; Ethanol: Insoluble

Application Protocols

No validated application protocols are provided for SR18662 in the Product Data.

General small-molecule handling protocol (not item-specific; for research use only):

• Stock preparation: Weigh compound quickly at room temperature. Dissolve in anhydrous DMSO to 10–50 mM. Vortex and, if needed, sonicate briefly. Filter through 0.22 µm PTFE if particulates persist.
• Aliquoting: Dispense into low-bind microtubes (amber if light-sensitive) to single-use volumes. Flush headspace with inert gas if oxidation is a concern.
• Working solutions: Dilute stocks into assay buffer/media to desired concentrations, ensuring final DMSO ≤0.5–1% v/v for cell assays (or per assay tolerance). Mix immediately to minimize localized supersaturation.
• Documentation: Record lot number, preparation date, solvent, concentration, and storage conditions in ELN/LIMS. Attach chromatogram/MS confirmation where available.
• Controls: Include vehicle controls, positive/negative controls if known, and verify absence of precipitation or color change during the assay window.

Biological Roles

Item-specific facts

• No target, pathway, or biological role is provided for SR18662.

General considerations for small molecules in research (not item-specific)

• Small molecules can act as enzyme inhibitors/activators, receptor ligands, ion channel modulators, or pathway probes, but specific activity must be experimentally determined for each compound.
• If biological testing is pursued, establish compound identity and purity, confirm absence of confounding impurities (e.g., reactive contaminants), and assess stability in assay media (pH 7.4, 37 °C) over assay time courses.
• Determine solubility limits and adsorption to plastics; pre-block plates or include carrier proteins/detergents as appropriate to minimize nonspecific binding.
• For mechanism studies, orthogonal readouts (biochemistry, biophysics, and phenotypic assays) help deconvolute target-related effects from nuisance mechanisms (aggregate formation, redox cycling, covalent reactivity). All use is for research only.

Buffer Applications

SR18662 is not a buffering agent, and no acid/base properties are provided. Buffer formulation guidance is therefore not directly applicable to this item.

If preparing assay solutions (general, not item-specific):

• Use standard biological buffers (e.g., PBS, HEPES) and add SR18662 from concentrated DMSO stocks to achieve ≤0.5–1% final DMSO.
• Pre-warm and vortex immediately after addition to mitigate precipitation. Verify solution clarity and maintain consistent pH and ionic strength to reduce variability.

Green Alternatives

This section is typically relevant when a product is used as a reagent or solvent. SR18662 is listed as a research small molecule with no defined reagent role; therefore, greener-replacement analysis is not directly applicable.

General guidance (not item-specific):

• For solution preparation, prefer lower-toxicity, lower-PBT solvents where compatible (e.g., ethanol or water with co-solvent) and minimize DMSO/DMF volumes in large-scale preparations.
• Apply solvent selection guides (e.g., CHEM21, ACS GCI) for any synthetic steps conducted around this compound (synthesis of analogs, intermediates).
• Implement microscale assays to reduce solvent and waste generation; use high-solubility stock solutions to minimize repeat preparations and disposal.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing use is specified for SR18662. This product is supplied for research use only.

General notes (not item-specific; non-clinical):

• In discovery settings, research compounds may be used in pre-formulation studies (solubility, stability screening) to inform structure–property relationships. Such work is exploratory and not for human or veterinary use.
• If performing nonclinical formulation experiments, document vehicle composition (e.g., PEG400/saline, Captisol, or DMSO/cremophor/saline systems) and verify compound stability and absence of precipitation over the study window. Follow institutional guidelines for laboratory animal research if applicable and authorized.

Physical Properties

Item-specific facts (from Product Data)

• Physical state/appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point, boiling point, density, refractive index, solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD, pKa, UV–Vis λmax: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for unknown small molecules (literature/practice, not item-specific)

• Initial solubility screening: test DMSO (10–50 mg/mL), DMF, MeOH, EtOH, and aqueous buffers with 0.5–2% co-solvent. Sonication and gentle warming (≤40 °C) can assist dissolution.
• If UV-active, a typical analytical wavelength window is 200–400 nm (literature). Determine λmax experimentally for quantitation.
• If crystalline, DSC/TGA can give melting/thermal stability; Karl Fischer titration can quantify residual water (if needed for assay reproducibility).
• For partitioning behavior, measure logD7.4 by shake-flask or chromatographic surrogate (C18 retention vs standards).
• Hygroscopicity and polymorphism should be assessed empirically if precipitation is observed during dilution from DMSO into aqueous media.

Quality and Grades

Item-specific facts (from Product Data)

• Grade/purity: Not specified for this item; refer to CoA/Spec Sheet.

Interpreting grades (general guidance)

• Research-grade small molecules are typically supplied with LC–MS purity (e.g., area% at a single wavelength) and may include HPLC chromatograms. If “HPLC-grade” is stated for solvents, it refers to low UV background; for solids, “≥95% (HPLC)” typically refers to chromatographic assay of the compound, not solvent quality.
• If stabilizers or salt forms are used (e.g., TFA salt), they should be disclosed on the CoA. Absence of such information here means none are specified for this item.
• For screening libraries, batch-to-batch consistency is critical: verify identity (MS) and purity (UPLC) upon receipt and periodically if stored long term.

What to request for QA/QC (practical checklist)

• Lot-specific: assay/purity method and wavelength, retention time, MS data (m/z, adduct), water/volatile content if relevant, and residual solvent profile.
• If chirality is relevant, ask for enantiomeric excess and method (chiral HPLC).
• Acceptance criteria should be defined in your method files; do not infer specifications from catalog text. Always defer to the product’s CoA/Spec Sheet.

Reaction and Applications

Applicability to this item

• No structural data or reagent role is provided for SR18662. It is listed under a small-molecule/compound library category, suggesting use as a research chemical or screening compound rather than as a synthetic reagent.

General research applications for library compounds (not item-specific)

• Assay development and screening: Use as a test article in biochemical or cell-based assays to profile activity, selectivity, or phenotypic responses.
• Mechanistic studies: Probe cellular pathways, target engagement (e.g., CETSA, DARTS), or off-target liabilities when a putative target is known.
• Analytical reference: Serve as a chromatographic/MS reference standard once identity and purity are confirmed.

If synthetic use is intended (general precautions)

• Without functional group information, avoid planning transformative chemistry. If later used as a substrate or building block, establish stability in proposed solvents/reagents (base/acid sensitivity, redox behavior) by micro-scale tests.
• Document and validate any reaction involving the compound with orthogonal analytics (LC–MS, NMR) due to unknown decomposition pathways.

Reaction Conditions

This section is typically relevant when a compound participates in defined chemical reactions. For SR18662, no structure or functional groups are provided, so reaction conditions cannot be specified.

General laboratory guidance (not item-specific):

• If conducting any chemical modification, run milligram-scale scouting reactions first and screen solvent/base/acid compatibility. Monitor by LC–MS or TLC to establish stability domains.
• For solution handling only (no reaction): prepare concentrated stocks in DMSO at 10–50 mM; store aliquots at −20 °C; avoid repeated freeze–thaw; and protect from light if chromophores are suspected. Validate solution stability by periodic LC–MS.

Safety and Handling

Item-specific facts (from Product Data)

• GHS classification, pictograms, signal word, H-statements: Not specified for this item; refer to SDS.
• Storage conditions: Store at −20 °C.
• Shipping: Shipped in ice chest with ice pads to maintain cold chain.

General laboratory safety (not item-specific; follow your institutional SOPs)

• Handle in a fume hood with standard PPE: lab coat, safety glasses, and appropriate chemical-resistant gloves (nitrile commonly used). Avoid inhalation, ingestion, and skin/eye contact.
• Prevent aerosolization when opening lyophilized or powdered materials. If dust may form, use a balance enclosure or ventilated hood.
• Incompatibilities are unknown; segregate from strong oxidizers/reducers/acids/bases until specific data are available.
• First aid (overview; defer to SDS): rinse eyes/skin with water for ≥15 minutes upon exposure; remove contaminated clothing. If inhaled, move to fresh air. Seek medical attention if symptoms occur.
• Waste: Dispose of as organic chemical waste according to local regulations; do not drain-dispose. Decontaminate surfaces with suitable solvent/detergent.
• For assay use, filter stock solutions (0.22 µm PTFE) if particulate is observed to minimize exposure and ensure solution clarity.

Solvent Selection

Item-specific facts (from Product Data)

• No solubility information is provided for SR18662.

General solvent strategy for unknown small molecules (not item-specific)

• Primary stock solvent: DMSO is the default for screening compounds due to broad solvency and assay compatibility at ≤0.5–1% v/v in final wells.
• Secondary options: DMF, NMP, MeOH, EtOH, or mixtures (e.g., 50% DMSO/H2O) when DMSO alone is insufficient.
• Aqueous work: Use co-solvents or capturers (e.g., 0.5–2% DMSO, 0.01–0.1% Tween-80 or Pluronic F-127) to minimize precipitation upon dilution.
• Filtration: If insoluble particulates appear, filter through 0.22 µm PTFE (organic) or PVDF (aqueous-organic) membranes.

Comparison notes (general)

• DMSO vs DMF: DMSO is less volatile and widely biocompatible; DMF can interfere with some assays and has stricter safety considerations.
• MeOH/EtOH: Useful for spectrophotometry; higher volatility and assay cytotoxicity at lower percentages.
• Aqueous buffers: Only after determining intrinsic solubility; adjust pH if an ionizable center is known (requires structural data).

Storage and Reconstitution

Item-specific facts (from Product Data)

• Storage conditions: Store at −20 °C.
• Shipped in: Ice chest + ice pads to maintain low temperature during transit.

General guidance (not item-specific)

• Keep container tightly closed in a dry environment. If hygroscopicity is unknown, minimize ambient exposure during weighing (use desiccator or glove box if available).
• Reconstitution: Prepare concentrated stock solutions in high-purity DMSO (typical 10–50 mM). If aqueous solubility is known to be high, water or buffer may be used; otherwise, start with DMSO.
• Aliquot to single-use volumes to avoid repeated freeze–thaw. Store aliquots at −20 °C. Thaw at room temperature, mix, and inspect for particulates before use.
• Light/oxidation: If chromophores or oxidizable moieties are suspected, protect from light (amber vials) and consider inert gas overlay (argon or nitrogen).
• Stability monitoring: Periodically check by LC–MS/HPLC (area% purity, new peaks). Discard stocks showing precipitation, discoloration, or significant degradation.
• Always consult the lot-specific CoA/SDS for any additional storage or stability instructions particular to the supplied batch.

Structure and Identity

Item-specific facts (from Product Data)

• Product name: SR18662 (SKU: S414256)
• CAS: S414256 (catalog placeholder)
• 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 notes)

• No structural identifiers were provided. Without a molecular structure, functional groups, ring systems, and stereochemistry cannot be described for this specific item.

How to confirm identity (general guidance for small molecules)

• Obtain the supplier CoA and spectral package (1H/13C NMR, LC–MS, HRMS). Match exact mass and isotopic pattern to the expected formula.
• Confirm purity/identity by analytical HPLC/UPLC with diode array; compare retention time to a qualified reference when available.
• If structure is later provided, consider orthogonal confirmation: FTIR (functional groups), melting point (if solid), and quantitative NMR (qNMR) for assay.
• Assign unique internal ID and barcoding; document lot-specific CoA linkage in ELN/LIMS.

Synthetic Utility

Without structural information, SR18662 cannot be positioned as a reagent, synthon, or building block. Therefore, specific synthetic transformations are not described for this item.

General considerations if structure becomes available (not item-specific):

• Identify key functional handles (e.g., aryl halides for cross-coupling, carbonyls for reductive amination, amines for acylation/sulfonylation). Map protecting-group strategy if multiple reactive sites are present.
• For SAR work, prioritize late-stage diversification handles (Suzuki/Miyaura, Buchwald–Hartwig, Chan–Lam, olefin manipulations) to access analogs rapidly.
• Apply orthogonal purification strategies (normal-phase vs reverse-phase chromatography, crystallization, recrystallization) and monitor with LC–MS to avoid co-elution of closely related impurities.

Target Specificity

No target, selectivity profile, or binding data are provided for SR18662 in the Product Data. Target specificity cannot be inferred.

General guidance (not item-specific):

• If a putative target is known from external literature, confirm by orthogonal assays (biochemical IC50/Ki, cellular EC50, CETSA/SPR/ITC). Include selectivity panels against close homologs to contextualize potency.
• Evaluate assay interference risks (aggregation via DLS, redox activity, fluorescence quenching) to rule out false positives in screening campaigns.