GSK467 - Moligand™, 10 mM in DMSO , CAS No.1628332-52-4

CAS: 1628332-52-4 Cat. No.: G1495028 Summenformel: C₁₇H₁₃N₅O₂ Molekulargewicht: 319.32

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

GSK467 is a cell penetrant and selective KDM5B (JARID1B or PLU1) inhibitor with a K i of 10 nM and an IC 50 of 26 nM. GSK467 shows 180-fold selectivity for KDM4C and no measurable inhibitory effects toward KDM6 or other Jumonji family members .

Specifications

Spezifikationen & Reinheit

Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Namen und Kennungen

• Isomere SMILES: C1=CC=C(C=C1)CN2C=C(C=N2)OC3=NC4=C(C=CN=C4)C(=O)N3
• Molekulargewicht: 319.32
• Reaxy-Rn: 29214009
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29214009&ln=

Application Protocols

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

General starting points for small-molecule screening (for research use only):

• Prepare a 10–20 mM DMSO stock (if soluble), filter if necessary through 0.22 μm PTFE, and store as single-use aliquots at recommended temperatures.
• Typical assay ranges: 0.01–30 μM final concentration, with serial dilutions to generate concentration–response curves. Keep final DMSO ≤0.5–1% v/v unless assay tolerance is known.
• Include appropriate vehicle controls (matched DMSO), and, where possible, a positive control ligand for benchmarking.
• Monitor compound stability over the assay window by LC/MS or UV to rule out degradation or adsorption losses.

These are generalized practices; develop and validate protocol specifics (buffer composition, incubation times, readouts) according to your target system and internal SOPs.

Biological Roles

Target specificity and biological mechanism for this catalog item are not provided in the Product Data. Therefore, no definitive biological role can be stated for this lot/listing.

General guidance for small-molecule research ligands:

• Such compounds are commonly used as chemical probes to modulate protein targets in vitro or in cells, enabling pathway mapping and target validation. Typical readouts include enzyme activity, reporter assays, and proteomic shifts.
• When the target is known from literature via CAS/CID, confirm that the purchased lot matches the intended stereochemistry, salt form, and polymorph if these aspects influence activity.
• For cellular work, establish concentration–response curves and verify on-target effects with orthogonal methods (e.g., genetic knockdown, rescue assays) to mitigate off-target interpretation.
• Assess compound stability in culture media (protein binding, hydrolysis, oxidation) using LC/MS to ensure that observed effects arise from the parent molecule.

Please consult primary literature associated with CAS 1628332-52-4 or PubChem CID 135567128 for detailed, peer-reviewed information on the biological target and mechanism, and verify all details against the item’s CoA.

Buffer Applications

This product is a small-molecule ligand rather than a buffering agent. It is not typically used to establish or maintain pH.

Practical notes for assay buffers (general):

• Prepare compound stocks in DMSO and dilute into biological buffers (e.g., HEPES, PBS) ensuring the final DMSO concentration remains within assay tolerance (commonly ≤0.5–1% v/v).
• Include surfactant (e.g., 0.01% polysorbate-20) or serum proteins if nonspecific adsorption or precipitation is observed; verify that additives do not interfere with the biological readout.
• Filter buffers (0.22 μm) and pre-equilibrate to assay temperature to minimize drift in solubility or binding.

No item-specific buffer capacity, pKa, or formulation data are provided; consult the CoA/Spec Sheet and perform small-scale compatibility tests before critical experiments.

Green Alternatives

Green solvent or process substitution is generally discussed for bulk reagents and chromatography. For a discovery-scale ligand like GSK467 used at micromolar to milligram scales, environmental impact is driven mainly by solvent choice in handling and analysis.

Practical greener considerations (general):

• Prefer water-rich assay buffers with minimal DMSO (≤0.5–1% v/v) when compatible with biological targets.
• For stock preparation, use the lowest feasible concentration that maintains stability to reduce DMSO consumption and waste.
• In analytical workflows, consider acetonitrile/water gradients instead of chlorinated solvents; use fast UHPLC methods to cut solvent volumes.
• For solid-phase storage and plating, minimize freeze–thaw cycles and plate replicate efficiently to avoid repeated solvent use.

Illustrative comparison (general):

• DMSO vs DMF: DMSO has a better safety/green profile than DMF and is typically preferred for stocks; DMF should be limited to cases where DMSO is unsuitable.
• ACN vs MeOH/IPA: ACN offers low viscosity and fast evaporation but is petro-derived; MeOH/IPA may be viable if the compound remains soluble and the detection method tolerates them.

Because item-specific solubility is unknown, confirm any substitution experimentally and document stability to avoid assay artifacts.

Pharmaceutical Uses

No pharmacopeial or excipient status is provided for this item, and it is designated For research use only. It is not supplied for formulation development intended for clinical use.

Context for researchers (general):

• Small-molecule ligands like this are commonly employed in preclinical discovery and mechanistic studies (e.g., target validation, SAR exploration). Any extrapolation to dosage forms or ADME profiling should be considered exploratory and non-clinical.
• If conducting pre-formulation research (in vitro only), examine solid-state form, hygroscopicity, and solubility across biorelevant media, but do not infer clinical suitability from this listing.
• No USP/EP monograph or GMP manufacturing claims are made for this product.

Always treat this material as a research reagent outside the scope of medical, diagnostic, or therapeutic applications.

Physical Properties

Item-specific physicochemical parameters are not provided in the Product Data.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point / 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.
• LogP / pKa: 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 screening compounds (literature/general):

• Many discovery ligands are formulated as solids and prepared as concentrated DMSO stock solutions (e.g., 10–50 mM) for HTS or cellular assays due to broad solubilizing power of DMSO.
• Alternative solvents frequently used in method development include DMF, acetonitrile, or aqueous media containing a minor fraction of cosolvent and surfactant (e.g., 0.5–2% DMSO + 0.01% Tween-20) to reduce adsorption and precipitation.
• If the compound contains ionizable groups (unknown here), solubility can be tuned by pH adjustment within the stability window of the molecule; verify by UV/Vis or LC analysis to avoid degradation.

Important: Treat any literature values retrieved via CAS/CID as general reference only. For experimental or QC-critical work, rely on the lot-specific CoA/Spec Sheet for definitive properties.

Quality and Grades

• Grade/Purity: Moligand™ (as provided in Product Data).

About Moligand™ (general description):

• Moligand™ designates small-molecule ligands curated for screening, chemical biology, and target validation workflows. While not a regulatory grade, Moligand™ selection emphasizes identity confirmation and suitability for research assays.

What this means for the user:

• Identity & Purity: Item-specific purity, residual solvents, and analytical limits (e.g., HPLC area %, NMR verification) are not listed here. For assay-critical work, request and review the CoA/Spec Sheet to confirm acceptance criteria and analytical methods used.
• Low carryover & handling: Library-grade compounds are typically packaged to minimize contamination and adsorption; nonetheless, adopt low-binding plastics and controlled atmospheres during aliquoting.
• Stability documentation: Because stability can be target- and scaffold-dependent, verify recommended solvent, light sensitivity, and freeze–thaw tolerance on the CoA prior to long studies or bulk plate replication.

Notes on other grades (context):

• Analytical (AR), HPLC, or USP/EP grades relate to solvents/excipients and are not applicable to this discovery ligand. The Moligand™ designation focuses on research suitability rather than pharmacopeial compliance.

Reaction and Applications

This product is supplied as a bioactive small molecule for research screening rather than as a synthetic reagent. No specific synthetic or catalytic applications are provided in the Product Data.

Typical research applications for Moligand-class tools (general):

• Target engagement studies: Thermal shift assays (DSF), CETSA, or SPR/BLI using purified protein where the ligand identity is confirmed via CAS/CID cross-check.
• Cell-based assays: Phenotypic screens or pathway interrogation with tightly controlled DMSO levels and verification of compound stability in media.
• Mechanistic enzymology: IC50/Ki determination where applicable; confirm assay linearity and compound integrity by orthogonal readouts (e.g., LC-MS of assay supernatants).
• Chemoinformatics: Docking/virtual screening benchmarking using the CAS/CID to retrieve structure, then validating the purchased lot via CoA.

If you intend to use GSK467 in a chemical synthesis context, first obtain full structural details and stability data (CoA) to assess compatibility with reagents, bases/acids, or catalysts. Without item-specific information, reaction planning should not assume functional group tolerance.

Reaction Conditions

No reaction conditions are specified for this item, as it is supplied as a research ligand rather than a reagent. If you intend to use it in chemical transformations (e.g., as a substrate for derivatization), establish conditions empirically after confirming structure and functional groups via the CoA and primary literature.

General experimental tips (for small-scale transformations, literature/general):

• Use anhydrous solvents (e.g., DCM, THF, DMF, MeCN) and inert atmosphere if moisture- or air-sensitive motifs are suspected.
• Start with milligram-scale trials (0.01–0.05 mmol) and monitor by LC/MS to detect side products or decomposition.
• Control temperature conservatively (0–25°C) until stability is demonstrated; scale only after consistent conversions are observed.
• Employ orthogonal analytics (HPLC/UPLC with PDA + MS, and NMR) to confirm identity and purity of modified analogs.

Because functional-group content is not provided here, do not assume compatibility with strong bases, acids, radical initiators, or transition-metal catalysts without prior testing.

Safety and Handling

Safety classification for this specific item has not been provided.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / Pictograms: Not specified for this item; refer to SDS.
• Intended use: For research use only (not for human or veterinary use).

General laboratory precautions (best practice):

• Handle small-molecule ligands in a fume hood with appropriate PPE: lab coat, safety glasses, and nitrile gloves. Avoid inhalation of dusts or aerosols and prevent skin contact.
• If supplied or reconstituted in organic solvents (e.g., DMSO), avoid prolonged skin contact; many bioactive chemicals can be absorbed dermally.
• Prevent cross-contamination in screening collections by using low-bind tips/plates and maintaining cold storage where indicated.

Incompatibilities and stability considerations (general):

• Avoid exposure to moisture, light, and elevated temperature unless stability is verified. Some discovery compounds undergo hydrolysis or oxidation; maintain under inert atmosphere if the structure (once confirmed) suggests sensitivity.
• Do not mix with strong oxidizers or reducing agents without a documented compatibility assessment.

First aid overview (general):

• Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing.
• Inhalation: Move to fresh air. Seek medical attention if symptoms persist.
• Ingestion: Rinse mouth; seek medical attention.

Always consult the product’s SDS for authoritative hazard, handling, and disposal guidance.

Solvent Selection

Item-specific solubility is not provided. The following guidance reflects common practice for screening ligands and should be verified experimentally for this molecule.

• Primary stock solvent (typical): DMSO due to its broad solvating ability and assay compatibility at 0.1–1% v/v final.
• Secondary options: DMF or acetonitrile for analytical sample prep; ethanol or isopropanol for limited-solubility scaffolds. Avoid high-water activity if hydrolysis-prone motifs are suspected from literature.
• Aqueous work: Use buffered saline with minimal DMSO (≤1–2% v/v) and surfactant (e.g., 0.01% polysorbate) to limit precipitation/adsorption when appropriate to the assay.
• pH considerations: If the target structure contains ionizable groups (unknown here), adjust pH to enhance solubility while avoiding degradation; confirm by LC or UV.

Comparison (general guidance):

• DMSO: maximal solubility, high boiling point, excellent for freezer stocks; may affect some enzyme assays at >1%.
• DMF/ACN: good for LC/MS sample prep; ACN preferred for volatility and lower background in ESI.
• Aqueous buffers: preferred for biotesting but require cosolvent or cyclodextrin encapsulation for hydrophobic ligands.

Always prepare small test aliquots to confirm clarity and stability over the assay timeframe before committing valuable screens.

Storage and Reconstitution

• Storage conditions (as supplied): Store at -80°C (per Product Data). Protect from light and moisture. Maintain in the original, tightly sealed container until use.
• Shipping conditions: Shipped on dry ice packs + cold packs to maintain low temperature during transit.
• Reconstitution solvent: Not specified for this item; refer to CoA/Spec Sheet.

General best practices for small-molecule ligands:

• If reconstituting, use high-purity anhydrous DMSO to prepare concentrated stocks (e.g., 10–50 mM) when compatible; confirm clarity at intended concentrations.
• Prepare single-use aliquots (e.g., 10–50 μL) in inert, low-bind tubes to avoid repeated freeze–thaw. Store aliquots at -80°C.
• Avoid multiple freeze–thaw cycles; thaw on ice, use immediately, and discard any remaining thawed aliquot.
• For aqueous dilutions, add DMSO stock to pre-chilled buffer with vigorous mixing to prevent local supersaturation; verify absence of precipitation before use.
• Document storage dates and perform periodic QC checks (e.g., HPLC) on long-stored stocks to confirm integrity.

For exact solvent recommendations, solution stability, and permissible storage duration, please consult the lot-specific CoA/Spec Sheet.

Structure and Identity

GSK467 is supplied as a Moligand-class small molecule for screening and target discovery. Structural identifiers for this specific catalog item are limited in the Product Data.

• SKU: G1495028
• Product name: GSK467
• CAS: 1628332-52-4
• PubChem CID: 135567128 (literature/database identifier)
• 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):

• This listing does not include a 2D structure depiction or functional-group annotation. For detailed structural analysis (ring systems, heteroatoms, stereochemistry), consult the primary registry (CAS/CID) and the item’s CoA.

How to use the identifiers:

• The CAS and CID can be used to cross-reference public databases (e.g., PubChem, Reaxys) to retrieve literature structural information if needed for cheminformatics, docking, or analytical method development. Ensure that any retrieved data match the exact lot/specification for this catalog item before use in regulated workflows.

Synthetic Utility

This listing is for a bioactive small molecule intended as a ligand/chemical probe. It is not positioned as a general synthetic building block, and no functional-group specifications are provided in the Product Data.

General considerations if synthetic derivatization is planned:

• Confirm the exact structure (via CAS/CID + CoA) and identify modifiable positions before attempting analog synthesis or bioconjugation.
• Establish stability to bases/acids, oxidants, and reducing agents using micro-scale tests and analytical monitoring (LC/MS, NMR) to avoid degradation during protection/deprotection steps.
• If the scaffold contains heteroaromatics or amide linkages (unknown here), common transformations may include N-alkylation/acylation, cross-coupling from aryl halide handles, or amide coupling—only after verifying such handles are present.

Without item-specific structure and reactivity data, any proposed route or transformation should be treated as hypothetical and validated experimentally after obtaining the detailed CoA/structure.

Target Specificity

No target or specificity information is provided for this catalog item.

• Antigen/target name: Not specified for this item; refer to CoA/Spec Sheet.
• Mechanism/class: Not specified for this item; refer to CoA/Spec Sheet.
• Species reactivity / selectivity panel: Not specified for this item; refer to CoA/Spec Sheet.

For studies requiring defined target engagement, consult primary literature using CAS 1628332-52-4 or CID 135567128, and verify that the structural form and lot you receive match the reported probe.