PTOTAC HSD17B13 degrader 1 , CAS No.3046195-01-8

CAS: 3046195-01-8 Cat. No.: P1440211 Formule: C₄₅H₄₅ClF₃N₇O₅ Poids moléculaire: 856.33

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

PTOTAC HSD17B13 degrader 1 (compound 1) is a PROTAC targeting 17β-HSD 13 ( HSD17B13 ). PTOTAC HSD17B13 degrader 1 is composed of PROTAC target protein ligand HSD17B13 degrader 2 (red part), PROTAC Linker tert-Butyl 5-bromoisoindoline-2-carboxylate (black part) and E3 ubiquitin ligase ligand E3 ligase Ligand 31 (blue part), among which the conjugate of E3 ubiquitin ligase ligand + Linker is E3 Ligase Ligand-linker Conjugate 114.

Specifications

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.

Noms et identifiants

Poids moléculaire

856.33

Application Protocols

Only item-specific, tested protocols can be listed here. For this product, no validated application protocols, recommended dilutions, or positive control conditions are provided in the Product Data.

Please refer to the CoA/Technical Sheet for any available protocol guidance. In the absence of vendor protocols, users should develop assay conditions empirically, including concentration ranges, treatment times, and control experiments appropriate to their biological system.

Biological Roles

Item-specific biological role: Not specified for this item; refer to CoA/Tech Sheet.

General/literature context about the target (not item-specific, no clinical claims):

• HSD17B13 (17β-hydroxysteroid dehydrogenase 13) is a lipid droplet–associated protein with enzymatic features in the short-chain dehydrogenase/reductase family. It is implicated in hepatic lipid handling and retinoid/aldehyde metabolism. Genetic and biochemical studies indicate roles in liver lipid homeostasis and responses to metabolic stress.
• Targeted protein degradation approach: A degrader directed toward HSD17B13 is designed to recruit an E3 ubiquitin ligase to HSD17B13, promoting ubiquitination and subsequent degradation by the 26S proteasome. This allows transient, tunable knockdown of the protein to dissect function with temporal control.
• Experimental endpoints commonly assessed: Protein abundance (WB/ELISA), mRNA feedback responses, lipid droplet metrics (microscopy/flow), and metabolic enzyme activity assays.
• Selectivity considerations: Evaluating effects on related short-chain dehydrogenases (e.g., other HSD17B isoforms) helps clarify specificity and off-target biology.

Note: The exact E3 ligase engaged, binding mode, and cellular potency for this specific item are not provided here and should be determined from the item’s technical documentation or by empirical testing.

Buffer Applications

This product is a small-molecule degrader and does not function as a buffering agent.

Practical guidance (general, not item-specific):

• Working solutions for biochemical or cellular assays are typically prepared by diluting DMSO stocks into assay buffer or culture media. Maintain constant DMSO across control and treated samples to avoid solvent-induced artifacts.
• Common assay buffers (e.g., PBS, HEPES-buffered saline) may be used as vehicles, provided the compound remains in solution and does not adsorb excessively to plastics. Validate solubility and stability in your chosen buffer.

Item-specific buffer recommendations are not provided; consult the CoA/Tech Sheet and optimize conditions for your assay.

Green Alternatives

Green chemistry considerations for this product type:

• As a specialized research tool compound (targeted degrader), the primary opportunities for greener practice lie in solvent and process choices during handling and assay setup, rather than in substituting the active compound itself.

General guidance (not item-specific):

• Prefer greener solvents for cleaning and sample preparation when compatible (e.g., ethanol, isopropanol) over chlorinated solvents.
• Minimize DMSO volumes by preparing concentrated stocks and optimizing assay miniaturization (96- to 384-well formats) to reduce solvent use and waste.
• Use aqueous buffers where feasible and reduce reliance on high-boiling aprotic solvents for ancillary steps.
• Implement microscale analytics (UPLC, nano-LC) to cut solvent consumption and waste generation.

Trade-offs:

• DMSO remains the most practical solvent for many degraders due to solubility; greener substitutions may compromise solubility or assay performance and require empirical validation.

Summary:

• No direct “green alternative” compound exists for a target-specific degrader. Focus on greener solvents, reduced scale, and efficient workflows to improve the environmental profile of experiments employing this material.

Pharmaceutical Uses

Research-use only statement (from Product Data): For research use only.

Context and limitations:

• This material is supplied as a research tool compound to support investigations in chemical biology and target validation. It is not an excipient, API, or a product manufactured to GMP specifications.
• No pharmacopeial status or monograph is provided for this item.

General (not item-specific):

• In preclinical research settings, degrader compounds may be formulated for in vitro or ex vivo studies using DMSO-based vehicles and, where appropriate, co-solvents or surfactants. Such practices are strictly for laboratory research and require rigorous safety and stability validation.

No therapeutic or clinical claims are made for this product. It is not intended for human or veterinary use.

Physical Properties

Item-specific specifications:

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Purity/Grade: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: 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/unknown for a complex small molecule; refer to CoA/Spec Sheet.
• Density, refractive index, UV cutoffs, residual solvents, water content, metal limits: Not specified for this item; refer to CoA/Spec Sheet.

General/literature guidance for degrader-type small molecules (not item-specific):

• State: Typically delivered as an off-white to light-colored solid or film; highly polar and high-MW relative to typical inhibitors.
• Solubility: Commonly soluble in DMSO (stock 10–20 mM); limited aqueous solubility without co-solvent or carrier proteins. Aqueous working solutions often require serial dilution of DMSO stocks into buffer/cell media, keeping final DMSO ≤0.1–0.5% v/v as tolerated by the system.
• logP/logD: Degraders often show high polarity and large polar surface area, with mixed lipophilicity; exact values depend on structure and must be confirmed on the CoA.
• pKa: Multiple ionizable centers are typical; micro-speciation varies across physiological pH. Item-specific pKa values are not provided here.

Always consult the CoA/Specification Sheet and SDS for authoritative physical data prior to experimental planning.

Quality and Grades

Item-specific quality information:

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

General guidance for research-grade small-molecule degraders (not item-specific):

• Typical offering: Research-use only (RUO) materials intended for target validation, mechanism studies, and cell-based assays. Purity is commonly reported by HPLC/UPLC (% area) and supported by MS/HRMS; NMR may be provided in the CoA.
• Analytical expectations: RUO degraders often include data for purity, identity (MS/HRMS), and occasionally water content (Karl Fischer) and residual solvents (GC). Chromatographic purity thresholds of ≥95% are common in screening applications; verify your batch-specific CoA.
• Stabilizers/additives: Not typically used; if present, they will be listed on the CoA. Absence/presence of salt forms (e.g., TFA salt) can affect solubility and handling.
• Batch-to-batch consistency: Check lot-specific certificates for purity, identity metrics, and any polymorph/solvate notes.
• UV characteristics: If using in photoassays or HPLC with UV detection, consult the CoA for UV spectra/absorbance to select appropriate wavelengths.

Recommendation: For quantitative biology, request CoA/Spec Sheet for the exact lot to confirm purity, counterion/state (free base vs. salt), and any stabilizer or residuals relevant to your experimental constraints.

Reaction and Applications

Item-specific application notes: Not specified for this item; refer to CoA/Tech Sheet.

Applicability for this compound type:

• This product is a targeted protein degrader intended for chemical biology and target validation studies rather than for use as a synthetic reagent in classical organic reactions.

General research applications (literature-based, not item-specific):

• Targeted degradation studies: Evaluate loss of HSD17B13 protein levels via ubiquitin-proteasome pathway engagement using Western blot, ELISA, or quantitative proteomics. Time-course and dose–response studies can assess degradation kinetics (e.g., DC50, Dmax) and re-synthesis.
• Mechanism confirmation: Use proteasome inhibitors (e.g., MG132) or neddylation inhibitors to confirm UPS dependence. Evaluate effects of E3-ligase blocker or CRBN/VHL engagement as appropriate for the degrader design.
• Functional readouts: After confirming degradation, measure downstream biochemical phenotypes relevant to HSD17B13 function (lipid droplet biology, retinol/short-chain dehydrogenase pathways) in your model system.
• Selectivity profiling: Counter-screen against related proteins and apply global proteomics (TMT/label-free) to survey off-target degradation.

Practical tips:

• Maintain consistent DMSO across conditions. Include non-degrading controls such as inactive analogs if available. Confirm compound integrity by LC–MS after storage.

Note: Specific use conditions for this catalog item are not provided; design and validate conditions empirically for your system.

Reaction Conditions

Not typically applicable. This product is supplied as a research probe for biological studies, not as a reagent for synthetic organic reactions.

General guidance for biological testing (not item-specific):

• Stock solutions: 10–20 mM in anhydrous DMSO; store as aliquots.
• Cell-based assays: Initial test ranges commonly span 1 nM to 10 µM. Determine degradation metrics (e.g., DC50, Dmax) with time-course sampling (e.g., 2–24 h). Maintain constant DMSO across conditions.
• Mechanism controls: Include proteasome inhibition, excess E3 ligand competitor, and an inactive analog where available.

No item-specific reaction or assay conditions are provided; users should optimize empirically for their system and consult the product’s Tech Sheet when available.

Safety and Handling

Item-specific hazard data:

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

General laboratory safety guidance (not item-specific; defer to SDS):

• Personal protective equipment: Use lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Handle powders in a fume hood to prevent inhalation of dust/aerosols.
• Avoid ingestion, inhalation, and skin/eye contact. Wash thoroughly after handling. Degraders may have biological activity at low concentrations, so minimize exposure and prevent environmental release.
• First aid (overview): If inhaled, move to fresh air and seek medical attention if symptoms occur. On skin contact, wash with soap and water; remove contaminated clothing. For eye contact, rinse cautiously with water for several minutes and seek medical attention if irritation persists. If swallowed, rinse mouth; do not induce vomiting; seek medical attention.
• Handling/transfer: Open vials carefully to avoid loss of material. When preparing DMSO stocks, avoid needle stick and splash; wipe exterior surfaces after use.
• Storage incompatibilities: Keep away from strong oxidizers and reactive acids/bases. Protect from moisture and light to preserve integrity of complex small molecules.
• Waste: Dispose according to institutional and local regulations for organic chemical waste.

Always consult the product’s SDS for definitive hazard classification and emergency procedures.

Solvent Selection

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

General guidance for degrader-type small molecules (literature-based, not item-specific):

• Stock preparation: Dissolve at 10–20 mM in anhydrous DMSO. Warm gently (room temperature), vortex, and sonicate briefly if needed. Avoid prolonged heating.
• Working solutions: Dilute DMSO stocks into aqueous buffers or cell culture media with vigorous mixing to mitigate precipitation. Keep final DMSO typically ≤0.1–0.5% v/v for live-cell work, as permitted by your system.
• Solvent alternatives: If DMSO solubility is limited, consider co-solvents (DMF, ethanol) or aqueous vehicles with minimal surfactant (e.g., 0.01–0.05% v/v Tween-80) for in vitro biochemical assays. Validate compatibility with your assay readout.
• Adsorption/aggregation: High molecular weight, polar degraders may adsorb to plasticware and aggregate. Use low-bind tubes and pre-wet tips with solution containing the compound. Filter (0.22 µm PTFE) only if validated not to cause significant loss.
• Light and moisture sensitivity: Prepare solutions under low light and use anhydrous solvents to prolong stability. Prepare single-use aliquots to minimize freeze–thaw cycles.

Comparison (general):

• DMSO: Highest solvating power and assay compatibility; hygroscopic, can affect cells at >0.5–1%.
• DMF: Strong solvent; less preferred in cells; good for biochemical assays.
• Ethanol: Variable solubility; better tolerated in some biological assays at low percentages.

Storage and Reconstitution

Item-specific storage and shipping (from Product Data):

• Storage Conditions: Store at -20°C.
• Shipped In: Ice chest + Ice pads.

General handling and reconstitution guidance (not item-specific):

• Protect from moisture and light. Allow the sealed container to equilibrate to room temperature before opening to minimize condensation.
• Reconstitution: Prepare concentrated stocks (e.g., 10–20 mM) in anhydrous DMSO. Vortex to dissolve; brief sonication may help. If necessary, warm gently to room temperature. Do not heat above ambient without stability data.
• Aliquoting: Dispense single-use aliquots to minimize freeze–thaw cycles. Store aliquots at -20°C (or lower) in tightly sealed, inert vials. Record preparation date and concentration on labels.
• Working solutions: Dilute DMSO stocks into assay buffers or cell culture media immediately before use, maintaining consistent final DMSO across samples. Inspect for precipitation; if observed, adjust concentration or co-solvent strategy.
• Stability: Without item-specific data, assume limited stability in solution. Discard solutions after a working day unless stability has been verified by LC–MS/HPLC.

For definitive storage limits, solution stability, and reconstitution specifics for this item, consult the lot-specific CoA/Tech Sheet.

Structure and Identity

Brief overview: This product is a small-molecule targeted protein degrader (often termed a PROTAC-like degrader) intended for research on HSD17B13 protein biology.

Item-specific (from Product Data):

• SKU: P1440211
• Product Name: PTOTAC HSD17B13 degrader 1
• CAS: 3046195-01-8
• 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.

General/literature context (not item-specific):

• Structural archetype: Bifunctional small molecule composed of (1) a target-binding ligand for HSD17B13, (2) a linker of defined length and chemistry, and (3) an E3 ligase recruiter ligand (e.g., CRBN or VHL in common degrader designs). Exact motifs for this item are not provided here.
• Functional groups typically present in degraders include multiple heteroatoms (for hydrogen bonding), amide/urea linkages within the linker, and aromatic/heteroaromatic rings in the ligands. These features often yield high polarity and high molecular weight relative to conventional inhibitors.
• 2D structure description (generic for degrader chemotypes): Two pharmacophores tethered via a flexible or semi-rigid linker; one end engages the protein of interest (HSD17B13), the other recruits an E3 ubiquitin ligase, promoting proximity-driven ubiquitination and proteasomal degradation.

Note: Definitive structural identifiers and exact functional groups for this specific item are not provided and should be obtained from the item’s CoA/Specification Sheet.

Synthetic Utility

This compound is a finished small-molecule degrader and is not primarily intended as a synthetic reagent or building block.

General perspective (not item-specific):

• Degrader architectures comprise two ligands joined by a linker. While synthetic chemists may derive structure–activity relationships by modifying linker length/chemistry or ligand motifs, such work requires knowledge of the exact structure and synthetic route, which are not provided here.
• Typical transformations used during degrader synthesis (context only) include amide couplings (HATU/EDC/DIC), urea/carbamate formations, click chemistry (CuAAC) for triazole linkers, and selective protection/deprotection steps for polyfunctional intermediates.

For this catalog item, no precursor utility, coupling handles, or functional group annotations are specified. Consult the CoA/Tech Sheet if synthetic derivatization or analog synthesis is contemplated.

Target Specificity

Only information from Product Data can be listed here.

• Target, epitope, species reactivity, clone/isotype (where applicable): Not specified for this item; refer to CoA/Tech Sheet.

Note: While the product name suggests a degrader intended for HSD17B13 research, definitive target specificity, E3 ligase engagement, and selectivity data are not provided in the Product Data and should be verified from the item’s technical documentation.

Foire aux questions

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 3046195-01-8, the molecular formula is C45H45ClF3N7O5, and the molecular weight is 856.33 g/mol.

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.