AC-4-130 - ≥99% , CAS No.1834571-82-2

CAS: 1834571-82-2 Cat. No.: A651226 Formule: C₃₇H₃₆ClF₅N₂O₅S Poids moléculaire: 751.20 PubChem CID: 154701370

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

AC-4-130 is a potent STAT5 SH2 domain inhibitor. AC-4-130 directly binds to STAT5 and disrupts STAT5 activation, dimerization, nuclear translocation, and STAT5-dependent gene transcription. AC-4-130 induces cell cycle arrest and apoptosis in FLT3-ITD-driven leukemic cells. AC-4-130 has anti-cancer activity and can efficiently block pathological levels of STAT5 activity in acute myeloid leukemia (AML)

In Vitro

AC-4-130 (0.1-100 μM; 72 hours) leads to a significant increase in apoptosis in a dose-dependent and time-dependent manner in MV4-11 or MOLM-13 cells. ?\nAC-4-130 (2, 5 μM; 72 hours) induces cell cycle arrest with an increase in G0/G1 arrested cells and a concomitant reduction in cells in S or G2/M. ?\nAC-4-130 (0.5-2; 24 hours) reveals reduced pY-STAT5 levels both in the cytoplasm and nucleus. ?\nAC-4-130-mediated STAT5 inhibition efficiently blocks the proliferation and clonogenic growth of primary human AML cells, while healthy CD34+ cells are less sensitive. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:STAT5

Specifications

Spécifications et pureté

≥99%

Mécanismes biochimiques et physiologiques

AC-4-130 is a potent STAT5 SH2 domain inhibitor. AC-4-130 directly binds to STAT5 and disrupts STAT5 activation, dimerization, nuclear translocation, and STAT5-dependent gene transcription. AC-4-130 induces cell cycle arrest and apoptosis in FLT3-ITD-driv

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: CC(C)(C)C1=CC(=CC(=C1)CN(C2=CC=C(C=C2)C(=O)O)C(=O)CN(CC3=CC=C(C=C3)Cl)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F)C(C)(C)C
• IUPAC Name: 4-[[2-[(4-chlorophenyl)methyl-(2,3,4,5,6-pentafluorophenyl)sulfonylamino]acetyl]-[(3,5-ditert-butylphenyl)methyl]amino]benzoic acid
• InChIKey: NMQUSJQZQWKQBL-UHFFFAOYSA-N
• INCHI: 1S/C37H36ClF5N2O5S/c1-36(2,3)24-15-22(16-25(17-24)37(4,5)6)19-45(27-13-9-23(10-14-27)35(47)48)28(46)20-44(18-21-7-11-26(38)12-8-21)51(49,50)34-32(42)30(40)29(39)31(41)33(34)43/h7-17H,18-20H2,1-6H3,(H,47,48)
• PubChem CID: 154701370
• Poids moléculaire: 751.20

Propriétés chimiques et physiques

• Solubilité: DMSO : 100 mg/mL (133.12 mM; Need ultrasonic)

Application Protocols

Item-specific tested applications and recommended conditions: Not specified for this item; refer to CoA/Spec Sheet.

General best practices for small-molecule handling in assays

• Prepare a concentrated DMSO stock (e.g., 10–50 mM), verify dissolution visually, and record exact concentration.
• Perform serial dilutions in DMSO, then dilute into assay buffer/media to the final working concentrations, keeping DMSO constant across all wells.
• Include vehicle controls and, if available, a reference compound to benchmark assay performance.
• For light-sensitive materials (check SDS), use amber vials and minimize exposure during setup.

Biological Roles

Item-specific biological role/target: Not specified for this item; refer to CoA/Spec Sheet and primary literature where applicable.

General considerations for small-molecule tool compounds

• Such compounds are commonly used to interrogate biochemical pathways or protein functions in basic research settings.
• Establish target engagement with orthogonal methods (e.g., CETSA/thermal shift, pull-downs, or reporter assays) and verify specificity with structurally unrelated probes to control for off-target effects.
• Assess stability in relevant media (buffer, serum-containing media) and evaluate adsorption to plastics; both can affect apparent potency.
• Define acceptable vehicle (DMSO) concentration and include vehicle-only controls.

Data quality best practices

• Use concentration–response experiments with appropriate replicates and report the full dataset (including inactive concentrations) to enable reproducibility.
• If the compound is light- or redox-sensitive (check CoA/SDS), minimize exposure to light and air during biological testing.

Buffer Applications

This product is not a buffer component and does not define a buffering system.

Practical notes (general)

• When delivering small-molecule stocks to aqueous buffers, ensure the final DMSO/organic solvent content is within the assay’s validated tolerance (often 0.1–1% v/v).
• Avoid precipitation by adding the DMSO stock slowly with mixing into the buffer or media. If needed, add a small amount of co-solvent compatible with the assay.
• If adsorption to plastics is suspected, precondition plasticware with buffer containing a low percentage of serum protein or a nonionic surfactant, provided it does not interfere with the assay.

Green Alternatives

For small-molecule tool compounds, the active structure itself is typically not substitutable without changing research outcomes. However, aspects of the workflow can be made greener by solvent and process selection.

Greener handling considerations (general)

• Prefer aqueous buffers where feasible and keep organic co-solvent content to the minimum required for solubility.
• Choose DMSO over halogenated solvents for stock preparation; avoid chlorinated solvents in routine handling.
• Use microscale assays and miniaturized plates (384/1536-well) to reduce solvent consumption and waste.

Comparison of common solvent choices (general)

• DMSO: Broad solvency, low volatility; waste is non-halogenated but requires appropriate disposal.
• Ethanol: Bio-based routes available; higher volatility reduces residual solvent but increases VOC emissions.
• Acetonitrile: Useful for analytics; higher environmental footprint and toxicity profile than ethanol/water.

Process improvements

• Implement closed-cap, low-dead-volume dispensing to reduce evaporative losses.
• Consolidate compatible organic waste streams to minimize halogenated waste generation.

Pharmaceutical Uses

No pharmacopeial/excipient role is specified for this item; it is supplied for research use only.

General formulation context (non-clinical, laboratory scale)

• For in vitro studies, compounds are commonly formulated as DMSO stock solutions and diluted into assay media.
• For exploratory in vivo research (outside the scope of this product’s intended use), formulation strategies may involve aqueous vehicles with co-solvents, surfactants, or cyclodextrins. Users must consult primary literature and institutional regulations; Aladdin provides this product strictly for laboratory research, not for human or veterinary use.

Quality considerations

• Confirm absence/presence of residual solvents or salts if formulation sensitivity is expected; refer to CoA/SDS.
• Track lot numbers and storage history to ensure consistent performance across studies.

Physical Properties

Item-specific 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 applicable for most library solids; 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, pKa, refractive index, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule library compounds (literature/best practice)

• Many screening compounds are sparingly water-soluble and are first dissolved in DMSO to prepare concentrated stocks (e.g., 10–50 mM), then diluted into assay buffers (final DMSO typically 0.1–1% v/v).
• If aqueous solubility limits assay performance, consider co-solvents (EtOH, MeOH) or cyclodextrin formulations; always verify assay compatibility.
• Perform a quick visual solubility check (cloudiness/precipitation) upon dilution into buffer/media.

Analytical confirmation

• Use HPLC/UPLC to confirm purity and to assess stability in your solvent of choice over time (e.g., 0, 24, 48 h at room temperature vs 4 °C).

Quality and Grades

Item-specific quality

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

How to interpret grade/purity for screening compounds (general guidance)

• For biochemical and cell-based assays, users often require ≥95–98% HPLC purity to minimize off-target artifacts. Confirm with the supplied CoA chromatogram and peak integration method.
• If chiral centers exist, verify enantiomeric/diastereomeric purity (e.g., chiral HPLC) to ensure data reproducibility.
• Check for residual solvents, water content (Karl Fischer), and counter-ions/salts where relevant; these can impact apparent potency and solubility.

Recommended incoming QC (best practice)

• Identity confirmation by HRMS and 1H NMR on first receipt, especially for critical studies.
• Spot-check purity by HPLC using your laboratory method and detector (UV/ELSD/MS), as detector choice affects reported % area.
• Record batch/lot, storage history, and first-open date in your ELN to track performance over time.

Reaction and Applications

This product is listed within a small-molecule/compound library category and is primarily intended as a tool compound/chemical probe for research screening rather than as a synthetic reagent.

Applicable uses (general research context)

• Reference standard for biochemical or cell-based assays to establish positive control curves, IC50/EC50 determination, and assay validation.
• SAR exploration: Compare activity with structural analogs under identical assay conditions.
• Mechanistic studies: Probe pathway modulation in basic research settings (no clinical/therapeutic claims). Confirm target engagement with orthogonal assays.

Not typically applicable

• It is not commonly used as a coupling partner, catalyst, or reagent for named organic reactions. If a synthetic transformation is intended, consult primary literature for derivative chemistry of this scaffold.

Good laboratory practice

• Prepare fresh DMSO stocks, document concentration and batch/lot, and mitigate adsorption to plastics by using low-binding tubes or glass vials.
• Include vehicle controls matching the highest solvent percentage.
• Confirm compound integrity after assay (e.g., LC–MS of assay media) when stability is uncertain.

Reaction Conditions

Not typically applicable. This product is supplied as a research tool compound (final molecule), not as a reagent for synthetic transformations.

General notes (if chemical modification is attempted)

• Select mild conditions compatible with sensitive heteroaromatics (if present): room temperature reactions, neutral to slightly basic media, and anhydrous solvents to avoid hydrolysis.
• Monitor closely by TLC/UPLC and LC–MS for decomposition products.
• Avoid strong acids/bases and high temperatures unless stability is verified from preliminary tests.

Safety and Handling

Regulatory and hazard information (item-specific)

• 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 precautions (best practice)

• For research use only. Handle in a chemical fume hood with standard PPE: lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Avoid inhalation of dust and contact with skin/eyes.
• Prevent accidental ingestion; do not mouth-pipette. Wash thoroughly after handling.
• Avoid incompatible materials until verified by SDS/CoA; as a precaution, segregate from strong oxidizers and acids/bases until compatibility is known.
• In case of skin/eye contact: Rinse with plenty of water for at least 15 minutes; remove contaminated clothing; seek medical attention according to your institutional SOPs.
• Spills: Avoid dust generation. Gently collect solids and wipe area with suitable solvent (DMSO/EtOH or as recommended by SDS) while wearing PPE.
• Waste: Dispose of according to local regulations for organic laboratory chemicals; do not flush to drain.

Stability considerations

• Store at -20 °C as specified; minimize light, air, and moisture exposure. Keep container tightly closed. Use desiccant/inert atmosphere if recommended in CoA.
• Prepare single-use aliquots to minimize freeze–thaw cycles for stock solutions.

Solvent Selection

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

General solvent strategy for small-molecule tool compounds (literature/best practice)

• Primary stock solvent: DMSO is typically preferred for hydrophobic screening compounds due to broad solvating ability and assay compatibility at ≤1% v/v.
• Alternative co-solvents (if needed): Ethanol or methanol can assist dissolution prior to dilution into aqueous buffers. Verify cell/assay tolerance.
• Aqueous delivery: For poorly soluble compounds, consider surfactants (e.g., 0.01–0.05% Tween 80) or cyclodextrins; pre-test for assay interference.

Comparison (general)

• DMSO: Highest solvating power; compatible with many assays, but can affect membrane integrity and enzyme activity at higher %.
• Ethanol: Volatile, easier to remove; typically tolerated up to 0.5–1% in many biochemical assays.
• Aqueous buffer: Lowest risk of organic solvent effects but limited solubility for hydrophobic compounds.

Practical tips

• Warm to room temperature and vortex/sonicate; avoid heating above 40 °C unless thermal stability is verified.
• Filter sterilize only if the compound is known to be stable to filtration materials; adsorption losses on some membranes can be significant.

Storage and Reconstitution

Item-specific conditions

• Storage: Store at -20 °C (as provided in Product Data). Keep container tightly closed.
• Shipping: Ice chest + ice pads (as provided in Product Data).

General reconstitution guidance for small-molecule library compounds

• Allow vial to equilibrate to room temperature before opening to avoid moisture condensation.
• For first use, dissolve in anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM), unless the CoA specifies a different solvent. Record solvent, concentration, and date.
• Aliquot into single-use portions (low-bind tubes or glass vials) and return unused aliquots promptly to -20 °C. Avoid repeated freeze–thaw cycles.
• Protect from light and moisture if the structure is prone to photolysis or hydrolysis (consult SDS/CoA). Consider storing under inert gas for oxidation-sensitive compounds.

Stability monitoring

• Periodically assess stock integrity by HPLC/UPLC or LC–MS (e.g., quarterly or before critical experiments). Observe for color change or precipitation as qualitative indicators of degradation.

Note

• Where a specific solvent, concentration limit, or stability window is required, this will be stated on the CoA/Spec Sheet; defer to those instructions.

Structure and Identity

• Product name: AC-4-130 (SKU: A651226)
• CAS: 1834571-82-2
• PubChem CID: 154701370
• InChIKey: 242507 (as provided; note this is not a standard-length InChIKey)
• 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.

Structural description

• Item-specific structural features (ring systems, heteroatoms, stereochemistry): Not specified for this item; refer to CoA/Spec Sheet.
• General note (literature): AC-4-130 is referenced in the chemical biology literature as a small-molecule tool compound. Exact structure and functional groups should be confirmed from the CoA/SDS before use.

Identity checks and best practices

• Verify identity by HRMS, 1H/13C NMR, and, if available, HPLC/UPLC purity traces from the CoA.
• If referencing literature methods, cross-check CAS and CID to ensure the same batch/variant (salts, solvates, or stereochemical variants can exist).

Synthetic Utility

This compound is offered as a finished small-molecule tool compound and is not typically employed as a reagent or synthon in routine organic synthesis.

If derivatization is desired (general guidance)

• Confirm the presence of any functional handles (e.g., amines, phenols, halogens) from the structural data in the CoA/SDS before planning modifications.
• Protective group strategies and site-selective transformations must be designed with knowledge of the scaffold’s heteroaromatic/aryl substitution patterns and potential liability to oxidation or hydrolysis.
• Small-scale derivatization should be followed by LC–MS and NMR to confirm integrity and substitution pattern.

Alternatives

• Consider procuring close analogs from the same library for SAR rather than synthetic modification, which can be resource-intensive without complete structural information.

Target Specificity

Item-specific target, binding site/epitope, and selectivity data: Not specified for this item; refer to CoA/Spec Sheet and primary literature.

General guidance

• When using any small-molecule tool compound, confirm on-target activity with at least two orthogonal readouts and, where possible, compare with an inactive analog or structurally distinct probe for the same pathway.
• Profile for off-targets with broad panels (enzymatic or binding) if selectivity is critical for your application.

Foire aux 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 1834571-82-2, the molecular formula is C37H36ClF5N2O5S, and the molecular weight is 751.20 g/mol. InChIKey NMQUSJQZQWKQBL-UHFFFAOYSA-N.

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.