E235 - ≥98% , CAS No.891894-69-2

CAS: 891894-69-2 Cat. No.: E651168 分子式: C₂₈H₂₅FN₄OS 分子量: 484.59

グレード＆純度 ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

E235 is an expression regulator of activates transcription factor 4 ( ATF4 ). E235 reduces cell viability by activating integrated stress response (ISR) and DNA damage response signals. E235 has anti-proliferative activity and can be used for tumor research

In Vitro

E235 (1 µM; 2, 4, 8, 16 or 24 h) down-regulates the level of XBP-1s mRNA in HT1080 cells with time dependent manner. E235 (0.1-10 µM; 4 d or 5 d) has anti-proliferative activity on HT1080, RPMI-8226, B16F10, 4T1, HT1080 shNT and HT1080 shATF4 cells. E235 (0, 1, 5 and 10 µM; 4 h) increases the expression of p53 with dose-dependent manner in AG1522 cells. E235 (1 µM; 2 h) increases the expression of p-Chk2 in AG1522 cells. E235 (0, 1, 5 and 10 µM; 2 h) increases the expression of p-p53 in AG1522 and HT1080 cells. E235 (0, 0.5, 1, 5 and 10 µM; 0.5 h) increases the expression of γ-H2AX with dose-dependent manner in HT1080 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: HT1080, B16F10 and AG1522 cells. Concentration: 0, 1, 5 and 10 µM. Incubation Time: 4 h. Result: Increased the expression of ATF4 with dose-dependent manner. Western Blot AnalysisCell Line: HT1080 cells. Concentration: 0, 0.5, 1, 5 or 10 µM. Incubation Time: 2, 4 or 8 h. Result: Increased the expression of p-elF2α with time and dose dependent manner. Cell Proliferation AssayCell Line: HT1080 or RPMI-8226 cells. Concentration: 1 µM. Incubation Time: 0, 8, 16 and 24 h. Result: Exhibited anti-proliferative activity. Cell Viability AssayCell Line: AG1522 cells. Concentration: 0, 0.1, 0.5, 1 and 10 µM. Incubation Time: 4 d. Result: Inhibited cell viability with dose-dependent manner. Cell Cycle AnalysisCell Line: HT1080 cells and B16F10 cells. Concentration: 1 µM. Incubation Time: 8, 16 and 24 h. Result: Caused cell arrest during G2/M phase.

Form:Solid

IC50& Target:Activates transcription factor 4, ATF4

仕様

仕様と純度

≥98%

生化学的・生理学的メカニズム

E235 is an expression regulator of activates transcription factor 4 ( ATF4 ). E235 reduces cell viability by activating integrated stress response (ISR) and DNA damage response signals. E235 has anti-proliferative activity and can be used for tumor resear

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ACTIVATOR

純度

≥98%

名前と識別子

分子量

484.59

Application Protocols

Item-specific validated applications

• Not specified for this item; no tested applications or recommended dilutions are provided in the Product Data.

General protocols for small-molecule screening (guidance only)

• Preparation of 10 mM DMSO stock (example)
  • Allow vial to warm to room temperature in a desiccator.
  • Weigh compound quickly; add anhydrous DMSO to achieve desired molarity (calculate using the exact MW from the CoA once available).
  • Vortex and sonicate briefly. If needed, gently warm (≤40°C). Aliquot into low-binding tubes; store at −20°C.
• Biochemical enzyme assay setup
  • Prepare serial dilutions in DMSO, then transfer to assay buffer to reach final DMSO ≤0.5% v/v.
  • Include vehicle controls and a positive control inhibitor/activator where applicable.
  • Readout: follow assay kit or in-house SOP; verify no optical interference by running blank-corrected controls.
• Cell-based assay considerations
  • Confirm compound is sterile-filtered if introducing into cell culture; limit DMSO ≤0.1–0.25% v/v for sensitive lines.
  • Monitor precipitate formation microscopically; re-optimize solvent system if needed.

Important

• These are generic guidelines. Use item-specific MW, purity, and stability data from the CoA/SDS to finalize concentrations and handling steps.

Biological Roles

Item-specific biological role

• Not specified for this item; no target, pathway, or mechanism information is provided in the Product Data.

General considerations for screening compounds

• Potential roles: depending on structure, small molecules may modulate enzymes, receptors, ion channels, transporters, or protein–protein interactions. Without identity, such roles cannot be ascribed to E235.
• Assay strategy: incorporate orthogonal readouts to distinguish genuine target engagement from assay interference (fluorescence quenchers, redox cyclers, aggregators). Include detergent (e.g., 0.01% Triton X‑100) and counter-screens where appropriate.
• Selectivity profiling: once preliminary activity is observed, expand testing across a panel of related targets to gauge selectivity and off-target risks.
• Physicochemical profiling: determine solubility, permeability (PAMPA/MDCK), microsomal stability, and pKa/logD to understand likely biological behavior (permeation, distribution, ionization in physiological pH range).
• Aggregation checks: evaluate concentration–response in the presence/absence of detergent and test for colloidal aggregation by DLS or enzyme dilution experiments.

Important disclaimer

• No medical or clinical claims are made or implied. This product is supplied strictly for research use only.

Buffer Applications

Not typically applicable

• E235 is a small-molecule library member, not a buffering agent. No defined pKa set or buffering range is provided in the Product Data.

Practical guidance if buffer compatibility is needed (general)

• Prepare a DMSO stock and dilute into the assay buffer slowly under mixing to prevent precipitation; maintain final DMSO ≤0.1–0.5% v/v when feasible.
• Select buffer systems that maintain compound stability and target activity (e.g., HEPES pH 7.2–7.6 for many cell-free assays; phosphate buffer for absorbance-based assays when compatible). Validate compound stability by LC–MS over the assay window.
• Control for buffer components that could react with electrophiles or metal-binding motifs (e.g., avoid primary amine buffers like Tris if the compound has activated esters; avoid high phosphate with metal-dependent enzymes).

Specifications

• Buffer recipes, pH ranges, and ionic strengths are assay-specific and should be optimized empirically around target biology and compound solubility.

Green Alternatives

Item-specific green data

• Not specified for this item; refer to CoA/Spec Sheet for any stated environmental or regulatory notes.

General strategies to improve sustainability when working with screening compounds

• Solvent footprint
  • Prefer aqueous media where compatible; otherwise use lower-toxicity, biodegradable solvents in small volumes.
  • Replace DMF/NMP/DMAC with greener alternatives (e.g., Cyrene, GBL-free systems) for any sample processing when possible.
  • For stock preparation, consider ethanol or PEG-400 co-solvent systems in place of high DMSO fractions if the compound dissolves adequately and assays tolerate it.
• Scale discipline
  • Miniaturize assays (384/1536-well formats) to cut solvent use and waste generation.
  • Employ acoustic dispensing or pin tools to reduce DMSO transfers and plastics.
• Energy and logistics
  • Consolidate shipments on cold packs rather than dry ice where stability allows (this item ships on ice pads per Product Data). Coordinate deliveries to minimize re-shipping.
• Waste management
  • Segregate halogenated and non-halogenated waste. Distill and recycle suitable solvents where facility infrastructure exists.

Trade-offs (balanced view)

• DMSO remains unmatched for solubilizing diverse chemotypes; greener swaps may reduce solubility or stability and can alter assay performance. Perform side-by-side validations before adopting alternatives.

Pharmaceutical Uses

Not for human or veterinary use

• This product is for research use only (per Product Data). No therapeutic, diagnostic, or clinical applications are claimed or supported.

General formulation-related roles in R&D (context, not item-specific)

• Preformulation screening: determine solubility profiles across pH, co-solvents, and excipient systems (cyclodextrins, lipids) to enable in vitro and in vivo research models.
• Reference material in method development: establish chromatographic methods (HPLC/UPLC, LC–MS) and stability-indicating assays during lead optimization.
• Salt/supersaturation studies: if ionizable, evaluate salt forms to modulate solubility and stability for exploratory dosing in non-clinical studies.

Regulatory notes

• No pharmacopeial status or monograph is stated for this item. Any GLP/GMP application would require additional qualification, documentation, and supplier audit; this product is not offered as GMP grade.

Handling considerations for formulation research

• Use well-characterized lots with a current CoA specifying identity, purity, residual solvents, and water content.
• Track and limit DMSO or other vehicle percentages in biological dosing vehicles to avoid confounding effects.

Physical Properties

Item-specific facts (from Product Data)

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula / MW: Not specified for this item; refer to CoA/Spec Sheet.

Not provided in Product Data (do not use as specifications)

• Melting point, boiling point, density, refractive index, logP/logD, pKa, UV–vis cutoff, water/peroxide/metal content: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for compound-library solids (literature/typical, not item-specific)

• Many screening compounds are crystalline or amorphous solids with MW 250–600 Da and melt below 300°C; exact values must be confirmed on the CoA.
• Solubility strategy: prepare concentrated stocks in anhydrous DMSO (e.g., 10–50 mM), then dilute into assay buffers/medium to ≤0.1–0.5% DMSO v/v to limit vehicle effects. If precipitation occurs, evaluate co-solvents (EtOH, MeOH), pH adjustment (if ionizable), or surfactants (0.01–0.05% Tween-20) as permitted by your assay.
• Hygroscopicity/polymorphism: library members can exhibit variable forms; record any observed deliquescence or form change upon storage and consult the CoA for solid-state information when available.

Tip

• Before use, allow vial to equilibrate to room temperature in a desiccator to avoid condensation ingress, then promptly reseal after aliquoting.

Quality and Grades

Item-specific details

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Verification: For compound-library members, typical release criteria include identity (LC–MS/HRMS, 1H NMR) and chromatographic purity; see CoA.

Guidance on grades (general, not item-specific)

• Screening/Discovery grade: commonly supplied for hit-finding and in vitro assays, emphasizing identity and chromatographic purity. UV impurity limits, metals, and residual solvents are controlled per internal specifications; consult CoA for exact thresholds.
• HPLC/LC–MS suitability: Low baseline drift and single dominant LC peak are desirable for bioassay and ADME studies. If UV cutoff or extinction coefficients matter for your analytics, request UV–vis data from the CoA.
• Salt forms/solvates: Libraries may be supplied as free base/acid, salts (e.g., HCl, TFA), or solvates. The form influences molecular weight and solubility; CoA will state the exact form and assay basis (% on anhydrous, free base, or free acid).

Stabilizers/antioxidants

• Not specified for this item; refer to CoA/Spec Sheet. If present, stabilizers can impact certain assays (e.g., redox or fluorescence) and should be accounted for in controls.

Documentation

• Request and retain the batch CoA and, where available, a Spec Sheet detailing test methods, acceptance criteria, and storage recommendations.

Reaction and Applications

Item-specific applications

• Manufacturer applications: Not specified for this item.

General applications for a compound-library member (non-specified structure)

• Primary use: hit identification and SAR exploration in biochemical, biophysical, and cell-based screening. E235 can be incorporated into screening cascades (enzyme inhibition/activation, receptor binding, phenotypic assays) as a test article or reference comparator.
• ADME profiling: suitable for in vitro characterization (solubility, permeability, metabolic stability, plasma protein binding) to assess developability of hits.
• Analytical method development: use to validate LC–MS acquisition methods, retention-time alignment, and sample preparation workflows where a structurally similar internal standard is not mandatory.

Not typically used as a synthetic reagent

• Without a disclosed functional group set, E235 should not be presumed as a building block or catalyst. For synthetic chemistry purposes, select dedicated reagents with known reactivity and purity profiles.

Practical tips

• Prepare fresh aliquots to minimize freeze–thaw; document concentration by gravimetry or quantitative NMR where feasible.
• Track assay vehicle concentration and include matched DMSO controls.
• If intrinsic fluorescence or color is suspected, run interference controls (e.g., redox cycling, PAINS filters) and orthogonal assay formats.

Reaction Conditions

Item-specific reaction conditions

• Not applicable: E235 is supplied as a screening compound with no disclosed functional groups; no recommended synthetic reaction conditions can be provided.

General experimental conditions for handling in assays (not synthetic reactions)

• Stock preparation: dissolve in anhydrous DMSO under gentle warming (≤40°C) and vortex/sonicate if needed. Filter through 0.22 µm PTFE if particulate persists and the compound is stable.
• Assay dilution: add DMSO stock slowly to a stirred buffer or medium to achieve the target concentration while keeping DMSO ≤0.1–0.5% v/v.
• Light/air sensitivity: if degradation is observed, work under low light and inert gas headspace; amber vials and desiccation can improve stability.
• Stability checks: monitor by LC–MS or HPLC at t0 and after the assay duration to confirm exposure to the intended entity, not degradation products.

Expected yields/timelines

• Not applicable to this item; for synthetic transformations, consult literature relevant to the actual functional groups once disclosed.

Safety and Handling

Item-specific hazard information

• Signal word: Not specified for this item; refer to SDS.
• H-statements: Not specified for this item; refer to SDS.
• GHS classification and pictograms: Not specified for this item; refer to SDS.

General laboratory safety (applicable to unknown small molecules)

• PPE: lab coat, nitrile gloves (change frequently), splash goggles; handle in a certified fume hood to control inhalation exposure.
• Avoid ingestion, inhalation of dust/aerosols, and skin/eye contact. Do not pipette by mouth. Wash thoroughly after handling.
• Incompatibilities: until specific chemistry is known, separate from strong oxidizers and strong acids/bases. Avoid heating or open flames.
• First aid (overview; defer to SDS):
  • Inhalation: move to fresh air; seek medical attention if symptoms persist.
  • Skin contact: wash with soap and water; remove contaminated clothing.
  • Eye contact: rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; continue rinsing; get medical advice.
  • Ingestion: rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.
• Spill response: cover small spills with inert absorbent (vermiculite), collect in a chemical waste container. Avoid dust generation.
• Waste disposal: collect as organic chemical waste; comply with institutional and local regulations.

Note

• Always consult the item-specific SDS for authoritative hazard, toxicology, reactivity, and firefighting measures.

Solvent Selection

Item-specific solvent data

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

General selection guidance for small-molecule library members

• Stock solutions: anhydrous DMSO is the default solvent due to broad solubilizing power and assay compatibility at ≤0.1–0.5% v/v.
• Alternative or co-solvents: methanol, ethanol, acetonitrile, or isopropanol can aid dissolution for polar or moderately lipophilic compounds; for highly lipophilic entities, consider tert-butanol or PEG-400 co-solvent systems.
• Aqueous buffers: only after forming a clear DMSO concentrate; gradual dilution into buffer under mixing helps prevent precipitation. Maintain temperature (20–25°C) and add slowly to the larger aqueous volume.
• pH control: if the molecule has ionizable groups (unknown here), adjust pH to favor ionized state (bases: acidic buffer; acids: basic buffer) to enhance solubility. Validate stability across pH 2–9 if assay-relevant.
• Adsorption mitigation: low-binding plasticware or glass vials can reduce losses for hydrophobic or basic compounds.

Comparison snapshot (general)

• DMSO: strongest solubilizer; may interfere with some enzyme or cell assays above 0.5–1%.
• MeOH/EtOH: volatile, assay-friendly at low %; can denature proteins at higher levels.
• ACN: miscible, low viscosity; can affect cell viability above ~1–2%.

Always verify solubility and stability experimentally for the specific lot.

Storage and Reconstitution

Item-specific instructions (from Product Data)

• Storage conditions: Store at −20°C.
• Shipping: Ice chest with ice pads.

General best practices for compound-library members

• Container: keep tightly closed in a dry, inert atmosphere. Use desiccant and protect from light if sensitivity is suspected.
• Aliquoting: upon first opening, prepare single-use aliquots to avoid repeated freeze–thaw and moisture ingress. Label with concentration, solvent, date, and lot.
• Reconstitution (guidance; verify with CoA once MW is known)
  • Solvent: anhydrous DMSO is recommended initially. Alternative solvents (MeOH, EtOH, ACN) may be used if compatible and solubility permits.
  • Concentration: commonly 10–50 mM for screening libraries; calculate precisely using the exact molecular weight from the CoA.
  • Technique: bring vial to room temperature before opening; add solvent, vortex/sonicate to clarity. If insoluble, consider mild warming (≤40°C) and incremental solvent addition.
• Working solution stability: minimize time at room temperature; keep on ice during assay setup where feasible. Discard if precipitation or discoloration occurs.
• Long-term stability: monitor by periodic LC–MS/HPLC. If degradation is detected, consider colder storage (−80°C), amber vials, and inert gas headspace.

Notes

• Appearance, purity, water content, and any stabilizers: Not specified for this item; refer to CoA/Spec Sheet.
• For research use only; not for human or veterinary use.

Structure and Identity

Item-specific facts (from Product Data)

• SKU: E651168
• Product name: E235
• CAS: 891894-69-2
• Storage: Store at −20°C; shipped in ice chest with ice pads
• Category: Small molecules and compound libraries (小分子和化合物库)
• Research use only
• 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.

General chemistry notes (context, not item-specific)

• E235 denotes a catalog screening compound code. Without disclosed structure, stereochemistry, or functional groups cannot be asserted.
• For compound-library members, identity is typically verified by LC–MS and/or NMR; consult the CoA for spectral confirmation (1H/13C NMR, HRMS, HPLC purity, retention time).

How to describe 2D structure (applies once structure is known)

• Summarize ring systems (e.g., heteroaromatics vs carbocycles), key functional groups (e.g., amide, sulfonamide, nitrile), and substitution pattern.
• Note any stereocenters, E/Z geometry, tautomers, or salt/solvate form present.
• Indicate ionizable centers (basic amines, acidic heterocycles) relevant to solubility and handling.

Synthetic Utility

Item-specific reactivity and building-block utility

• Not specified for this item; the structure and functional groups are not provided, so no specific synthetic roles can be assigned.

General guidance

• As a screening compound, E235 is primarily a test article for biological assays rather than a reagent or building block. Unless the functional groups are disclosed and appropriate for coupling (e.g., boronate, halide, carboxylate, amine), it should not be assumed to participate in standard transformations.
• If the structure is later provided and includes common handles, typical synthetic utilities may include:
  • Cross-coupling (aryl halides/boronates in Suzuki–Miyaura, Buchwald–Hartwig, Sonogashira).
  • Amide/urea formation (carboxylic acids, acid chlorides, isocyanates, amines).
  • Nucleophilic substitutions or SNAr on activated aromatics.
• Protecting-group and stability considerations must be based on the actual functional group inventory; unknown at present.

Recommendation

• For route development or library expansion, source the corresponding building blocks or disclose the structure to assess robustness, orthogonality, and compatibility with chosen reaction manifolds.

Target Specificity

Item-specific target information

• Not specified for this item; no molecular target(s), selectivity profile, or binding data are provided.

Guidance for establishing specificity (general, not item-specific)

• Primary assays: measure activity against the intended target under defined conditions; confirm concentration–response behavior (IC50/EC50) and Hill slope.
• Orthogonal assays: use an alternative readout (biophysical such as DSF, SPR, ITC; or cellular target engagement like CETSA/HiBiT) to corroborate activity.
• Counter-screens: test against related family members and common off-targets; include PAINS/REACH filters and artificial intelligence flags where appropriate.
• Chemical liability checks: assess redox activity, covalency, aggregation, fluorescence interference, and metal chelation tendencies.

Note

• Reported specificity metrics (Ki, KD, selectivity ratios) must come from experimental data; consult future CoA, technical notes, or publications if/when available for E235.