AZD8329 - Moligand™, 10mM in DMSO , Inhibitor of hydroxysteroid 11-beta dehydrogenase 1, CAS No.1048668-70-7, Inhibitor of hydroxysteroid 11-beta dehydrogenase 1

CAS: 1048668-70-7 Cat. No.: A656275 Formula: C₂₅H₃₁N₃O₃ Peso molecolare: 421.53 PubChem CID: 25006684

GRADE & PURITY Moligand™, 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

AZD8329 is a potent 11β-Hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor with an IC 50 of 9 nM for human 11β-HSD1, displays excellent selectivity versus 11β-HSD2, 17β-HSD1 and 17β-HSD3

In Vitro

AZD8329 shows IC 50 s of 0.009, 0.0086, 0.008, 0.024, 0.002 and 6.1 μM for human enzyme, rat enzyme, dog enzyme, cyno enzyme, human adipocyte and mouse enzyme, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

IC50& Target:IC50: 9 nM (Human 11β-HSD1)

Specifications

Specifiche e purezza

Moligand™, 10mM in DMSO

Meccanismi biochimici e fisiologici

AZD8329 is a potent 11β-Hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor with an IC 50 of 9 nM for human 11β-HSD1, displays excellent selectivity versus 11β-HSD2, 17β-HSD1 and 17β-HSD3.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of hydroxysteroid 11-beta dehydrogenase 1

Nomi e identificatori

• Isomeri SMILES: CC(C)(C)C1=C(C=NN1C2=CC=C(C=C2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5
• CAS alternativo: 1048668-70-7
• PubChem CID: 25006684
• Termini MeSH: 4-(4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl)benzoic acid;4-(4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl)benzoic acid;AZD8329
• Peso molecolare: 421.53

Obiettivi associati (umani)

HSD11B1 Tclin Corticosteroid 11-beta-dehydrogenase isozyme 1 (3 Activities)

Discover Target: HSD11B1

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

Application Protocols

No item-specific, validated bioassay protocols are provided in this listing. The following are general best practices for handling small-molecule ligands like AZD8329 in biochemical or cell-based assays.

Stock preparation (general):

• Equilibrate vial at room temperature in a desiccator to prevent moisture condensation.
• Prepare a concentrated DMSO stock (e.g., 10–50 mM). Vortex and, if needed, briefly sonicate. Filter (0.22 µm PTFE) if particulates persist.
• Aliquot stocks into low-bind microtubes to minimize freeze–thaw and adsorption losses.

Assay dilution:

• Dilute into assay buffer or media keeping final DMSO ≤0.1–0.5% v/v unless otherwise validated. Include a vehicle control matching the highest DMSO level.
• Generate a 10-point half-log dilution series for robust EC50/IC50 determination. Incubation times should reflect target kinetics and cellular uptake characteristics (optimize empirically).

Controls and analytics:

• Include positive/negative control ligands where available, and counter-screens for assay interference (e.g., redox cycling, aggregation). Monitor for precipitation (light scattering) and compound stability by LC–MS over the assay time course.

These protocol suggestions are general and must be adapted to the specific biology and format of your assay.

Biological Roles

Specific molecular target(s), MoA, and pathway engagement for AZD8329 are not provided in this product listing. The following notes describe general roles of small-molecule tool compounds in research.

• Chemical probes: Tool compounds are used to modulate proteins or pathways in vitro and in cells, enabling hypothesis testing and target validation (general). When a well-annotated target is known, orthogonal assays and genetic controls help confirm on-target effects.
• Structure–activity relationships (SAR): Series like AZD-annotated molecules often inform SAR exploration (potency, selectivity, microsomal stability, permeability), aiding medicinal chemistry decision-making (general).
• Phenotypic profiling: Compounds can be screened across cell lines, organoids, or primary cells to map response signatures and infer potential targets via chemoproteomics or transcriptomics (general approach).
• ADME/T profiling: Establishes exposure and DDI risk hypotheses early; typical in vitro panels include CYP inhibition/induction, hERG binding, and microsomal stability (general). Item-specific data are not included here.

Caution: Without item-specific target data, interpret biological outcomes carefully. Employ dose–response curves, appropriate vehicle controls, and counter-screens to discriminate on-target activity from assay interference or cytotoxicity. Always avoid any clinical or diagnostic use; this material is for research use only.

Buffer Applications

AZD8329 is not a buffering agent. It does not serve as a pH buffer component in typical biochemical workflows. For experiments involving this compound:

• Use established biological buffers (e.g., PBS, HEPES, Tris) validated for your target assays.
• Dissolve AZD8329 in a suitable organic stock solvent (commonly DMSO) before dilution into the chosen buffer. Confirm that final co-solvent levels are compatible with your assay system.

Refer to your assay’s standard buffer formulations; no buffer recipes are specific to this item.

Green Alternatives

Because AZD8329 is a screening ligand rather than a process solvent or bulk reagent, “green alternatives” focus on greener handling and dissolution strategies rather than replacing the compound itself.

Greener handling considerations (general):

• Solvent minimization: Prepare the most concentrated practical DMSO stock to reduce total solvent volume used in assays. Dispense with acoustic or low-dead-volume systems to cut waste.
• Alternative diluents: Where compatible, consider aqueous buffers with minimal co-solvent, or ethanol at low percentages in lieu of higher DMSO levels—validate target tolerance.
• Analytical methods: Favor UPLC over HPLC to reduce solvent consumption; consider water-rich gradients and volatile buffers compatible with MS detection.
• Solid handling: Source the smallest quantity needed; aliquot upon receipt to avoid repeated thaw–freeze cycles that can lead to waste.

Comparison of common dissolution media (general):

• DMSO: High solvency; common in HTS; environmental/health considerations call for controlled use and waste segregation.
• Ethanol/IPA: Lower toxicity profile but reduced solvency for many hydrophobes; flammable.
• Aqueous buffers with cyclodextrins or mild surfactants: Can enhance solubility while keeping organic content low; must be validated for biological compatibility.

Waste management: Segregate DMSO- and acetonitrile-containing waste for appropriate disposal per institutional green-chemistry policies.

Pharmaceutical Uses

No excipient role, compendial monograph, or formulation standard is provided for this item. AZD8329 is supplied strictly for research use only.

Discovery and preformulation context (general guidance):

• Solubility and stability screening: Evaluate kinetic and thermodynamic solubility in biorelevant media (FaSSIF/FeSSIF, SGF/SIF, pH 1–8 buffers) to inform exposure hypotheses (non-clinical research).
• Salt/salt-free forms: If the structure permits ionization, exploratory salt screening (e.g., HCl, mesylate for bases; Na+, K+, tromethamine for acids) can improve solubility and solid-state properties. Item-specific salt form is not specified here.
• Solid-state characterization: PXRD, DSC/TGA, and moisture sorption can de-risk polymorphism and hygroscopicity during research handling.

Important limitations:

• No medical, diagnostic, or therapeutic claims are made or implied.
• For any regulated development activity, obtain full CMC documentation and item-specific specifications; such data are not included in this catalog entry.

Physical Properties

Item-specific physicochemical constants are not disclosed in this listing. Where useful, general practices and literature-style expectations for small-molecule discovery compounds are noted.

Item-specific values:

• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point, boiling point, density, refractive index, pKa, logP/logD, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

General/literature guidance for handling discovery ligands (non–item-specific):

• Solubility screening commonly begins with DMSO stock solutions (e.g., 10–50 mM) due to broad compatibility with biochemical and cell-based assays, followed by dilution into aqueous buffers with final DMSO at ≤0.1–0.5% v/v to minimize vehicle effects.
• If the compound bears ionizable groups (unknown here), solubility can be enhanced by appropriate pH adjustment (literature general). Avoid assuming ionization state without item data.
• Many aromatic drug-like molecules exhibit limited aqueous solubility and may benefit from gentle warming (≤37 °C) and vortex/sonication during stock preparation. Filter through 0.22 µm if particulate persists.

Always refer to the item’s CoA/SDS for authoritative properties and safe-handling parameters.

Quality and Grades

• Grade: Moligand™ (item-specific). This designation indicates suitability for small-molecule screening, hit validation, and medicinal chemistry research workflows. Lots are prepared and packaged with careful control to support reproducible assay performance.

What Moligand™ typically implies (general description of grade):

• Identity confirmation by orthogonal analytical techniques (e.g., LC–MS, NMR, or HRMS) appropriate for discovery compounds.
• Purity control suitable for biochemical/cellular assays; specific numeric purity thresholds are not listed here. For assay-critical thresholds, consult the CoA/Spec Sheet for your lot.
• Packaging amenable to DMSO stock preparation and plate-based dispensing (when offered in microtubes or plate formats).

Not included/Not specified for this item:

• Exact purity percentage, residual solvent limits, metal limits, water/peroxide content, and UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
• Stabilizers: Not specified for this item; refer to CoA/Spec Sheet.

Practical notes:

• For quantitative biology, verify lot-specific purity and potency in your assay context. If LC–UV or LC–MS baselines suggest minor impurities, consider re-purification or define acceptance criteria (e.g., single peak area ≥95% by your method).
• If your application requires particular salt/counterion form or polymorph control, confirm with the CoA or request a custom specification where available.

Reaction and Applications

This product is supplied as a research-grade small-molecule ligand for screening and tool-compound studies, not primarily as a synthetic reagent. Consequently, classical synthetic “reaction applications” (e.g., as a catalyst, nucleophile, or electrophile) are not typically applicable.

Recommended research uses (general for discovery ligands):

• Biochemical target interrogation: Use as a reference or comparative tool compound in in vitro assays to probe pathway responses, SAR trends, or assay window robustness. Specific target activity for AZD8329 is not provided in this listing.
• Cellular assays: Evaluate phenotypic responses across cell models. Establish concentration–response relationships and confirm on-target behavior with orthogonal readouts and controls.
• ADME profiling: Solubility, microsomal stability, permeability, protein binding, and CYP interaction panels can help contextualize activity (general discovery workflow).
• Analytical reference: Use as a spike/standard for method development (LC–MS/UPLC) if identity/purity is verified for your lot.

Not provided for this item:

• Reaction roles, named reactions, or transformation conditions—no synthetic utility is claimed. If you intend to derivatize AZD8329 for probe development, first confirm structure and functional handles from the CoA or literature, then plan appropriate protecting-group and coupling strategies.

Reaction Conditions

Not applicable. AZD8329 is supplied as a research ligand and is not intended for use as a reagent or catalyst in synthetic transformations. No item-specific reaction conditions are provided.

If chemical modification is necessary for probe development (general guidance only):

• Work under inert atmosphere and anhydrous conditions when handling moisture/air-sensitive motifs (unknown for this item).
• Select coupling conditions matched to the revealed functional groups after consulting the CoA (e.g., amide couplings with HATU/EDC; Suzuki–Miyaura for boronic/halide pairs; click chemistry for azide/alkyne handles).
• Verify stability by LC–MS across pH 2–10 to choose compatible workup and purification methods.

These general notes are not item-specific and should not be construed as specifications or recommendations for AZD8329 without confirmed structural information.

Safety and Handling

Hazard classification for this specific item is not provided in the listing.

• GHS classification, signal word, H-statements, and pictograms: Not specified for this item; refer to SDS.
• Research Use Notice: For research use only. Not for human or veterinary use.

General laboratory precautions for small-molecule screening compounds (non–item-specific):

• PPE: Lab coat, safety glasses, and appropriate chemical-resistant gloves. Avoid inhalation of dust/aerosols and skin/eye contact. Handle powders in a fume hood or ventilated enclosure.
• Storage incompatibilities: Keep away from strong oxidizers and strong acids/bases unless compatibility is known. Avoid prolonged exposure to air and light if stability is unknown.
• First aid overview: In case of exposure, rinse affected area with water for ≥15 minutes and seek medical attention. If inhaled, move to fresh air. If ingested, rinse mouth; do not induce vomiting; seek medical care. Always follow the SDS.
• Spill response: Avoid dust formation. Scoop/spatula to collect solids; dampen to minimize dust. Dispose of according to institutional hazardous waste procedures.
• Special risks: Some drug-like molecules can be potent at low concentrations. Use weigh paper, antistatic measures, and enclosed balances. Consider dedicated tools to prevent cross-contamination in screening collections.

Defer to the product SDS for authoritative hazard, toxicology, and regulatory information.

Solvent Selection

Item-specific solubility data are not disclosed. The following guidance reflects common practices for small-molecule discovery compounds and should be validated in-house for AZD8329.

• Primary solvent for stocks: DMSO is the default for discovery ligands due to broad solvency and assay compatibility. Typical stock concentrations: 10–50 mM (general practice). Verify that no precipitation occurs upon aqueous dilution.
• Aqueous buffers: Dilute DMSO stocks into assay buffer (e.g., PBS, HBSS, HEPES-buffered saline) keeping final DMSO ≤0.1–0.5% v/v to minimize vehicle effects (general guidance). Include vehicle controls.
• Alternative organic solvents (if needed): DMF, ethanol, or acetonitrile can be used for preliminary solvency screening. For water-insoluble compounds, co-solvent systems (e.g., DMSO + buffer with 0.01–0.1% non-ionic surfactant such as Tween 80) may help; confirm target compatibility.
• pH adjustment: If the compound is ionizable (unknown here), modest pH shifts (pH 2–4 for bases; pH 8–10 for acids) can enhance aqueous solubility. Avoid extreme pH if target or assay components are sensitive.

Quick comparison (general):

• DMSO: Highest solvency; excellent for library stocks; may affect cells >0.5–1%.
• Ethanol: Volatile; often tolerated ≤0.1–0.5%; lower solvency than DMSO.
• Acetonitrile: Miscible with water; good for HPLC; may denature proteins at higher %.

Always pilot-test solubility and stability before large-scale assays.

Storage and Reconstitution

Item-specific storage conditions (from product data):

• Storage: Store at -80°C.
• Shipping: Shipped on dry ice packs + cold packs.

General handling and reconstitution guidance for small-molecule ligands:

• Upon receipt: Keep frozen. Allow the sealed container to equilibrate to room temperature in a desiccator before opening to avoid moisture condensation.
• Aliquoting: If supplied as solid, subdivide promptly into single-use aliquots under dry inert gas when possible. If supplied as DMSO solution, prepare small aliquots to minimize freeze–thaw.
• Stock solutions: Prepare concentrated stocks in anhydrous DMSO (typical 10–50 mM) unless item documentation specifies otherwise. Record exact concentration by mass and solvent density or by quantitative NMR if high precision is required.
• Stability: Light, oxygen, and moisture sensitivities are not specified for this item; protect from light and air as a precaution. Store aliquots at -80°C. Avoid repeated freeze–thaw; thaw only what is needed for immediate use.
• Expiry: Refer to the lot-specific CoA for retest/expiry dating. If unavailable, verify integrity periodically by LC–MS/UPLC and potency check in a reference assay.

Always consult the SDS and CoA/Spec Sheet for definitive storage, handling, and reconstitution instructions.

Structure and Identity

AZD8329 is an AstraZeneca-designated small-molecule tool compound supplied in our Moligand™ discovery grade. Structural identifiers are not disclosed in this item listing.

• CAS: 1048668-70-7 (item-specific)
• PubChem CID: 25006684 (literature identifier for database cross-reference)
• 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 notes (general):

• AZD-prefix compounds are typically small heteroaromatic or biaryl scaffolds optimized for potency and selectivity in discovery programs (literature, general). However, specific ring systems, stereochemistry, and functional groups for AZD8329 are not provided here.

2D structure description:

• Not provided in the product data. For exact atom connectivity, functional group inventory, and any stereocenters, please consult the Certificate of Analysis (CoA), Spec Sheet, or authoritative database record corresponding to the CAS/CID above.

Synthetic Utility

This product is offered as a finished small-molecule ligand for screening and tool-compound applications. It is not positioned as a synthetic building block or reagent, and no functional-group handles are specified in the product data.

If derivatization is contemplated (general considerations):

• Confirm the exact structure (from CoA/literature) to identify feasible vectors for tagging (e.g., installation of linkers, fluorophores, or biotin) while preserving activity.
• Map potential liabilities (e.g., oxidation-prone heterocycles, hydrolysis-sensitive amides/esters) before planning protecting-group strategies.
• Establish SAR-critical motifs through minimal modifications and back-up analogs to ensure retained potency/selectivity.

Because item-specific functional groups, stereochemistry, and stability are not disclosed, no named-reaction compatibility or synthetic sequences are recommended here.

Target Specificity

Target, mechanism, and selectivity information are not provided in this product data.

• Primary target/class: Not specified for this item; refer to CoA/Spec Sheet or the originating literature associated with CAS 1048668-70-7 or CID 25006684.
• Selectivity profile and off-targets: Not specified for this item; refer to CoA/Spec Sheet.
• Species reactivity: Not applicable to small molecules; evaluate cross-species potency empirically if required.

For experimental planning, use orthogonal assays and, where available, genetic controls to validate any hypothesized target engagement.