(Rac)-PT2399 - 10mM in DMSO , CAS No.1672662-07-5

CAS: 1672662-07-5 Cat. No.: P655359 Fórmula: C₁₇H₁₀F₅NO₄S Peso molecular: 419.32 PubChem CID: 117947087

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

(Rac)-PT2399 (Compound 10e), the racemate of PT2399, acts as a potent and specific hypoxia-inducible factor 2a (HIF-2α) inhibitor with an IC 50 of 0.01 μM

IC50& Target:IC50: 0.01 μM (HIF-2α)

Specifications

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

(Rac)-PT2399 (Compound 10e), the racemate of PT2399, acts as a potent and specific hypoxia-inducible factor 2a (HIF-2α) inhibitor with an IC 50 of 0.01 μM.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nomes e identificadores

SMILES isoméricas

C1C2=C(C=CC(=C2C(C1(F)F)O)S(=O)(=O)C(F)F)OC3=CC(=CC(=C3)C#N)F

PubChem CID

117947087

Peso molecular

419.32

Alvos associados (humanos)

EPAS1 Tclin Endothelial PAS domain-containing protein 1 (2 Activities)

Discover Target: EPAS1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Application Protocols

No vendor-validated application protocols are provided for this SKU.

General research-use guidance (not item-specific; verify in your system):

• Stock preparation: Dissolve in dry DMSO to 10–50 mM. Aliquot and store at low temperature to avoid freeze–thaw.
• Cell-based assays: Titrate across a log-scale concentration range (e.g., 0.01–10 µM) with matched vehicle controls; maintain DMSO ≤0.1–0.5% v/v. Validate exposure times (2–48 h) appropriate for your readout.
• Biochemical binding/HTS: Use serial dilutions in assay buffer with 0.01–0.05% detergent if aggregation is suspected; include counter-screens for fluorescence interference if using optical readouts.
• Thermal shift (DSF): Maintain dye compatibility with DMSO; keep final DMSO constant across wells.

Documentation:

• Record batch/lot, stock concentration, preparation date, and storage conditions on all vials and in ELNs.

For definitive, item-specific protocols, consult the CoA/tech sheet or contact technical support.

Biological Roles

Note: The following is general background on the biological context in which PT2399-class compounds are studied. It is not item-specific performance data and includes no medical claims.

• Hypoxia-inducible factors (HIFs) are transcription factors that orchestrate cellular responses to low oxygen. HIF-α subunits dimerize with ARNT (HIF-1β) to regulate genes involved in angiogenesis, erythropoiesis, glycolysis, and pH balance (literature).
• HIF-2α (EPAS1) exhibits tissue-selective roles distinct from HIF-1α, influencing erythropoietin expression, lipid metabolism, and certain developmental programs (literature).
• Small molecules termed HIF-2α antagonists have been developed to bind the PAS-B pocket of HIF-2α, disrupting dimerization/complex stabilization with ARNT and modulating downstream transcription (literature concept). PT2399 belongs to this general class in published research.
• Racemic vs enantiopure forms: Enantiomers of chiral ligands can show different binding affinities and selectivity profiles due to stereospecific interactions in the target pocket (literature observation). Racemic preparations combine activities of both enantiomers.

Research utility (general):

• Chemical probes against HIF-2α are used to interrogate hypoxia signaling in cell culture and biochemical systems, aiding target validation and pathway mapping.

Caveats:

• Off-target interactions are context-dependent; empirical profiling is recommended when interpreting phenotype changes.
• For this SKU, target specificity and activity data are not provided; consult primary literature or perform in-house profiling.

Buffer Applications

This item is a hydrophobic small-molecule probe and is not itself a buffering agent. However, buffer choice can influence its use in assays.

General guidance (not item-specific):

• Typical assay buffers: PBS, HEPES, or Tris-buffered saline are commonly used for cell-based and biochemical assays. Maintain consistent ionic strength and pH (often pH 7.2–7.5 for cells; broader for biochemical targets as validated).
• Cosolvent management: Keep DMSO ≤0.1–0.5% v/v where cell-compatibility is critical; titrate vehicle controls across the same DMSO percentage.
• Surfactants: 0.01–0.05% Tween-20 or Pluronic F-68 can help reduce compound adsorption and aggregation in some biochemical assays; validate to avoid assay interference.
• Protein carriers: 0.1–0.5% BSA may stabilize hydrophobic ligands in binding assays; confirm that carrier protein does not bind and sequester the ligand.

Not applicable:

• This compound does not define a buffer pKa range or capacity; no recipe-based buffer roles apply.

Green Alternatives

Green chemistry considerations for this item focus on solvent and process choices during handling and assay preparation, since the compound itself is a fixed structure and not a bulk solvent or reagent.

Opportunities (general):

• Prefer lower-toxicity solvents for cleaning and sample prep (e.g., ethanol, isopropanol) where compatible, rather than chlorinated solvents.
• When dissolving for analytics, consider acetonitrile/water (with minimal DMSO) for LC work, balancing solubility and detector response.
• Minimize DMSO concentration in assays to reduce environmental and biological impacts; use concentrated stocks and microvolumes.

Comparison of common choices (general guidance):

• Parameter | Conventional option | Greener alternative | Trade-offs
• Solubilization | DMSO | PEG-400 or Captisol (cyclodextrin) for in vivo-like vehicles (research only) | Vehicle may alter assay readouts; viscosity and baseline effects
• Analytics | MeOH for LC | EtOH/ACN where validated | Slightly different UV cutoff/viscosity; method revalidation needed
• Cleaning | Dichloromethane | Ethyl acetate / Isopropanol | Solvency may be lower; requires longer contact time

Waste minimization:

• Aliquot small volumes to reduce discard of aged solutions.
• Use microscale assay formats and automation to cut solvent use (12–1536-well plates), following plate-material compatibility with DMSO.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing specification is provided for this SKU.

• Intended use: For research use only (as stated in Product Data). Not for human or veterinary use, diagnostic procedures, or clinical applications.
• Formulation context (research only): In preclinical research settings, hydrophobic probes like this are often formulated as DMSO concentrates for in vitro work. For in vivo research models (outside the scope of this listing), excipients such as Captisol, PEG-400, or aqueous buffers with co-solvents are sometimes explored; such practices require internal validation and institutional approvals.
• Regulatory: No USP/Ph. Eur. monograph or GMP grade is indicated for this item; it should be handled strictly as a non-GMP research chemical.

Recommendation:

• If a particular formulation, salt form, or enantiopure material is required, consult our technical support for availability or custom services, and always verify with the batch-specific CoA.

Physical Properties

Only limited item-specific physicochemical data are available in the current listing.

Item-specific (from Product Data):

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

Commonly referenced/literature guidance (not item specifications):

• Aggregated experience with PT-class research probes indicates they are generally sparingly soluble in water and are typically prepared as DMSO stocks (e.g., 10–50 mM) for in vitro assays.
• Expected physical form: solid powder (literature/common practice for small molecules of this class). Actual form for this SKU is not specified.

Key properties — item-specific values not provided:

• Melting point: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point: Not applicable/Not determined for nonvolatile solids; Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• LogP / cLogP: Not specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
• UV-Vis characteristics: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable for solids; Not specified for this item; refer to CoA/Spec Sheet.

Practical handling notes (general):

• If preparing concentrated stocks, warm gently and vortex/sonicate with dry DMSO; avoid aqueous exposure until immediately before use.
• Protect from repeated freeze–thaw; aliquot DMSO stocks to minimize degradation (general best practice).

Quality and Grades

Item-specific grade/purity is not provided in the current listing.

• Grade/Purity (this SKU): Not specified for this item; refer to CoA/Spec Sheet.

Guidance on grades for small-molecule research probes (general):

• Research grade: Suitable for discovery biology/chemical biology, screening, and mechanism studies. Typical characterization includes NMR, LC–MS/UPLC, and purity by HPLC. Low levels of residual solvents and metals are often controlled but limits vary by supplier; consult CoA.
• HPLC grade (terminology sometimes used for solvents) does not apply to solids like PT2399; for solids, “≥95% HPLC purity” (or similar) may be reported on the CoA when available.

Stabilizers/additives:

• No stabilizer information is provided for this SKU. If a stabilizer or counter-ion is present (e.g., salt form), it will be specified on the CoA.

What to verify on receipt (best practice):

• Confirm CAS (1672662-07-5), product name, batch number, and storage instructions.
• Review CoA for analytical confirmation (chromatographic purity, spectroscopic identity), residual solvent content, water content (if reported), and any special notes on stereochemical composition for the racemate.

Reaction and Applications

This compound is primarily a research probe/screening molecule and is not typically employed as a synthetic reagent or catalyst.

Relevant applications (research use):

• Tool compound use in chemical biology and target validation experiments (literature), typically as a racemic mixture in biochemical, cell-based, or biophysical assays.
• SAR/analogue screening: The racemate can serve as a starting point for structure–activity relationship exploration; enantiomer resolution or asymmetric synthesis may be pursued for activity profiling (literature concept).

If used in medicinal chemistry workflows (general guidance):

• Derivatization: Amide/heteroaromatic handles (typical of this chemotype) may be modified for potency/PK optimization. Protecting-group strategies and selective halogenations/cross-couplings are common tactics (literature).
• Biophysical assays: Ligand binding can be evaluated by ITC, DSF, SPR, or NMR; maintain low DMSO percentages and include appropriate controls.

Not typical for:

• Serving as a nucleophile/electrophile precursor, coupling partner, or catalyst in general organic synthesis.

Practical tips (general):

• Prepare fresh DMSO stocks and store aliquots at low temperature to mitigate degradation.
• Confirm identity and purity by LC–MS/HPLC before critical experiments; impurity profiles can influence assay outcomes, particularly in cell-based readouts.

Reaction Conditions

Not typically applicable: (Rac)-PT2399 is used as a research probe rather than as a reagent in synthetic reactions. No item-specific reaction conditions are provided.

General guidance for assay solution preparation (not a chemical reaction):

• Solvent: Dry DMSO for primary stocks; prepare at 10–50 mM depending on solubility and intended assay dilution.
• Temperature: Dissolve at ambient temperature; mild warming (≤40 °C) and sonication can aid dissolution. Avoid prolonged heating.
• Filtration: 0.22 µm PTFE syringe filter to remove particulates from stock solutions if necessary.
• Stability checks: Verify by LC–MS/HPLC after storage; avoid repeated freeze–thaw cycles by aliquoting stocks.

If conducting synthetic modifications (general, literature-based):

• Cross-coupling typical ranges: Pd-catalyzed couplings often 50–100 °C in polar aprotic solvents (dioxane, toluene, DMF) with base (K3PO4, Cs2CO3); inert atmosphere recommended.
• Amide coupling: Carbodiimide or uronium reagents in DMF/DCM with bases like DIPEA at 0–25 °C.

These generalized ranges are provided for context only and are not specifications for this SKU.

Safety and Handling

Authoritative safety information is provided in the product’s SDS. The following are general laboratory precautions for small-molecule research compounds.

GHS/Classification (item-specific):

• Signal Word: Not specified for this item; refer to SDS.
• Hazard Statements: Not specified for this item; refer to SDS.
• GHS Classification: Not specified for this item; refer to SDS.
• Pictograms: Not specified for this item; refer to SDS.

General laboratory PPE and controls:

• Wear lab coat, safety glasses, and suitable chemical-resistant gloves (e.g., nitrile). Handle powders in a fume hood to avoid inhalation.
• Avoid dust generation; use antistatic measures and weigh boats with covers.
• For solutions in DMSO/organic solvents, prevent skin contact; DMSO can enhance dermal absorption.

Incompatibilities and stability (general):

• Avoid strong oxidizers and strong acids/bases unless required by a validated procedure; unknown functional groups may hydrolyze under harsh conditions.
• Minimize exposure to moisture and light during weighing and solution prep to protect stability (general precaution for research probes).

First-aid (overview; consult SDS):

• Inhalation: Move to fresh air; seek medical attention if symptoms occur.
• Skin/eye contact: Rinse with water for at least 15 minutes; remove contaminated clothing; seek medical advice if irritation persists.
• Ingestion: Rinse mouth; do not induce vomiting; obtain medical attention.

Waste disposal:

• Collect solids/solutions as organic hazardous waste per institutional and local regulations; do not discharge to drain.

Solvent Selection

This product is a solid small molecule used primarily as a research probe; solvent selection is typically for stock-solution preparation and assay dilution, rather than as a reaction solvent.

General guidance (literature/common practice):

• Primary stock solvent: DMSO is commonly used due to its broad solvating power for heteroatom-rich, lipophilic probes. Prepare concentrated stocks (e.g., 10–50 mM) to minimize DMSO carryover into assays.
• Alternative co-solvents: DMF, NMP, or ethanol can assist dissolution for some assay formats, but assess biological compatibility and volatility.
• Aqueous work: Due to expected low aqueous solubility, stocks are typically diluted into buffered media immediately before use, often with ≤0.1–0.5% v/v organic co-solvent.

Miscibility/polarity notes (general):

• PT-class probes are generally more soluble in polar aprotic solvents (DMSO, DMF) than in water or nonpolar hydrocarbons.

Practical tips:

• Warm gently (≤40 °C) and sonicate to aid dissolution; avoid prolonged heating or exposure to basic/acidic aqueous media unless stability is known.
• Filter stock solutions (0.22 µm PTFE) if particulate remains after dissolution.

Comparison (general):

• DMSO vs ethanol: DMSO offers higher solvency for diverse scaffolds but can affect cells at >0.5–1% v/v; ethanol is more volatile and often limited to ≤0.1–0.5% v/v in biological assays.

Storage and Reconstitution

Item-specific conditions (from Product Data):

• Storage Conditions: Store at -80°C.
• Shipped In: Dry ice packs + Cold packs.

General best practices for small-molecule solids and DMSO stocks (not item-specific specifications):

• Solid form: Keep tightly sealed in the original container. Allow the vial to equilibrate to room temperature in a desiccator before opening to prevent moisture condensation.
• Stock solution preparation: Reconstitute in dry, anhydrous DMSO to a convenient concentration (e.g., 10–50 mM) based on solubility. Mix thoroughly and, if necessary, briefly sonicate. Record exact concentration and solvent on the label.
• Aliquoting: Divide stock into single-use aliquots (amber vials or low-bind tubes) to avoid repeated freeze–thaw; flush headspace with inert gas if feasible.
• Storage of solutions: Store aliquots at -80°C, protected from light. Avoid more than 2–3 freeze–thaw cycles.
• Thawing: Thaw on ice or at room temperature; vortex before use. Inspect for precipitation or discoloration; discard if abnormal.

Stability notes:

• Long-term stability and exact shelf life are batch-dependent and not specified for this item; refer to CoA/Spec Sheet and perform in-house QC (e.g., quick LC–MS/HPLC check) on aged stocks.

Structure and Identity

Brief description: (Rac)-PT2399 is supplied as a racemic mixture of the two enantiomers of PT2399, a small-molecule research compound commonly used as a chemical probe in hypoxia-signaling studies (literature). Item-specific structural identifiers are not provided in the current listing.

• SKU: P655359
• Product Name: (Rac)-PT2399
• CAS: 1672662-07-5
• Category: Small molecules and compound libraries (research use)
• Stereochemistry: Racemic (1:1 mixture of two enantiomers)

Item-specific identifiers (from Product Data):

• 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 structural notes (literature):

• PT2399 is a heteroatom-containing, polycyclic small molecule designed to bind a defined protein pocket; it contains multiple ring systems and amide/heteroaromatic functionality typical of modern probe-like ligands. Exact 2D features depend on the disclosed structure in primary sources.
• The racemate contains both enantiomers; if stereochemistry impacts binding, enantiopure forms may show differing potencies (literature), but this listing is for the racemate.

2D structure (descriptive, literature-based): multi-ring scaffold with heteroatoms enabling hydrogen bonding and shape complementarity to protein binding pockets; multiple sp2 centers; at least one basic/neutral heterocycle is typical for this chemotype.

Synthetic Utility

This product is supplied as a finished small-molecule probe and is not commonly used as a reagent or building block in routine synthesis.

General synthetic context (literature):

• PT-class ligands typically arise from modular assembly of heteroaromatic fragments via amide coupling, aryl–aryl cross-coupling (e.g., Suzuki–Miyaura, Buchwald–Hartwig), and heterocycle formation sequences. Chiral centers may be introduced by asymmetric synthesis or resolved chromatographically to access individual enantiomers for SAR.
• If derivatization is desired (e.g., to make photoaffinity or biotinylated probes), functional handles present on the scaffold (amides, aryl halides, or heteroaryl nitrogens when available) can be leveraged. Exact reactive sites depend on the disclosed structure in primary sources and are not specified for this SKU.

Caveats:

• Without a disclosed SMILES/structure for this item, site-selective chemistry cannot be prescribed; consult structural literature and conduct small-scale feasibility tests.
• Protect integrity of stereocenters during transformations; racemic starting material may lead to diastereomeric mixtures upon functionalization.

Target Specificity

Item-specific target information is not provided in the current Product Data.

• Target, affinity, or selectivity data: Not specified for this item; refer to primary literature and the batch CoA/technical note if available.
• Species reactivity, clone/isotype: Not applicable; this product is a small molecule, not an antibody or biological.

Note: PT2399 has been described in the literature as a chemical probe in hypoxia signaling studies; however, this tab reports only item-specific catalog data, which do not include target details.