TH-Z145 - Moligand™, 10 mM in DMSO , CAS No.2260887-57-6

CAS: 2260887-57-6 Cat. No.: T1497667 Formule: C₁₆H₂₈O₇P₂ Poids moléculaire: 394.34

QUALITÉ & PURETÉ Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

TH-Z145, a lipophilic bisphosphonate, is a FPPS inhibitor ( IC 50 : 210 nM).

Spécifications

Spécifications et pureté

Moligand™, 10 mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Grade

Moligand™

Noms et identifiants

Poids moléculaire

394.34

Application Protocols

No tested applications or protocols are provided for this item. For general small-molecule screening workflows, consider the following high-level steps (adjust to your platform):

• Stock preparation: prepare 10–50 mM solutions in anhydrous DMSO; record exact mass, purity, and concentration. Filter if needed.
• Plate handling: dispense with acoustic or low-volume pipetting to minimize DMSO carryover; seal and store plates at -80°C when possible.
• Assay execution: maintain final DMSO below assay tolerances (commonly 0.1–1% v/v). Include vehicle controls and reference compounds.
• Data quality: include replicates, Z′-factor assessment, and counterscreens to identify fluorescence quenchers, aggregators, redox cyclers, or PAINS-like behaviors.

These are general practices and not product-validated protocols for TH-Z145.

Biological Roles

Item-specific facts (from Product Data)

• No biological function, target, or pathway information is provided for TH-Z145.

General guidance

• As a small-molecule library member, TH-Z145 may serve as a putative ligand in exploratory studies. Without structure, no inference can be made about mechanism, target class, or pathway involvement.
• If a target is later assigned (e.g., via phenotypic screening or chemoproteomics), document the evidence chain: assay conditions, concentration-response, counterscreens, and orthogonal validation.

Caution

• Do not ascribe biological roles or make clinical/therapeutic claims in the absence of validated data. Use for research only, as stated by the manufacturer.

Buffer Applications

This section is not typically applicable to undefined small molecules in screening libraries. TH-Z145 is not a buffering reagent, and no pKa or acid/base functionality is provided.

Practical note

• If dissolving TH-Z145 into aqueous buffers for assays, maintain buffer capacity with minimal organic co-solvent and verify pH after addition. Choose buffers based on your biological system (e.g., HEPES, phosphate, Tris), not on this compound’s properties.

Green Alternatives

Context

• The specific solvent and use pattern for TH-Z145 are not disclosed. Green chemistry considerations therefore focus on common practices for small-molecule stocks and assays.

General greener choices and practices

• Prefer DMSO over DMF/NMP for primary stocks when compatible; DMSO has a more favorable toxicological profile and is widely accepted in bioassays.
• For analytical/sample prep, prioritize ethanol or isopropanol over methanol where feasible; replace chlorinated solvents with acetonitrile or ethyl acetate when method performance allows.
• Minimize solvent volumes in screening by using echo/acoustic dispensing or low-dead-volume tip technologies.
• Consolidate freeze–thaw events by aliquoting to reduce waste from degraded stocks.

Trade-offs

• DMSO can carry water and oxidants; ensure high-grade, low-water DMSO and use desiccation to maintain quality.
• Ethanol/IPA have lower solvency for highly lipophilic compounds; co-solvent systems or limited ACN may be required.

Small comparison (general)

• DMSO: high solvency, good assay compatibility, low volatility; greener than DMF/NMP for many uses.
• Ethanol: renewable sources available; fast evaporation; generally safer; limited solvency for very hydrophobic scaffolds.
• Ethyl acetate: greener extraction/cleanup solvent vs chlorinated alternatives; immiscible with water; not ideal for polar analytes.

Note

• These are general guidelines, not item specifications. Optimize to your assay and safety requirements.

Pharmaceutical Uses

No excipient role, pharmacopeial status, or formulation use is provided for TH-Z145. This product is supplied strictly for research use only and is not intended for human or veterinary use, clinical diagnostics, or as an API/excipient.

General note

• If formulation-like studies are performed (e.g., preclinical enabling experiments), confirm compound identity, purity, polymorph, and stability, and follow institutional review and regulatory guidance. Such work is outside the scope of the provided product data.

Physical Properties

Item-specific facts (from Product Data)

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

Literature/general property guidance for small-molecule screening items

• Melting point (MP), boiling point (BP), density, pKa, logP/logD, refractive index, and UV-Vis characteristics are not provided for this item; refer to CoA/Spec Sheet.
• In screening collections, solids are commonly provided as lyophilized powders or film in plates/vials; some may be oils/low-melting solids. DMSO solubility is often targeted during library design, but must be verified empirically per compound.

Practical notes for use (general)

• Typical stock solutions: 10–50 mM in anhydrous DMSO for HTS and biochemical assays; adjust based on solubility and assay tolerance to DMSO.
• If the compound contains ionizable groups (unknown here), solubility can sometimes be improved by preparing salt forms or by co-solvent systems (DMSO + water/buffer or DMSO + ethanol/PEG). Validate compatibility with your assay and targets.
• Hygroscopicity and polymorphism, if present, influence handling and concentration calculations; check CoA for water content and assay for potency on receipt.

Specifications caution

• Do not treat any of the above as item specifications. For authoritative physico-chemical values, consult the SDS and CoA/Spec Sheet for TH-Z145 (CAS 2260887-57-6).

Quality and Grades

Item-specific facts (from Product Data)

• Grade/Purity: Moligand™.
• Category: Small molecules and compound libraries.

What Moligand™ typically denotes (general description)

• Moligand™ is used by Aladdin Scientific to designate small-molecule ligands intended for research screening, hit validation, or chemical biology. While the exact specification for this item is not disclosed here, Moligand-branded items are generally suitable for biochemical and cell-based assay development.

Important distinctions and documentation

• Purity basis, analytical methods, residual solvents, water content, and salt/solvate form: Not specified for this item; refer to CoA/Spec Sheet.
• Batch traceability: The CoA will list lot number, analytical results (e.g., HPLC/UPLC area %, NMR identity check), and may include HRMS.
• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet.

Practical implications for users

• For HTS/assay use, low UV background and well-defined purity are desirable. Confirm chromatographic purity and identity before quantitative studies (e.g., IC50/Kd determinations).
• If working under GLP or for method development, request a full analytical package (chromatogram, spectra). Re-verify purity after storage, especially for compounds stored at ultra-low temperatures to avoid freeze–thaw degradation.

Research-use limitation

• Research use only. Not for human or veterinary use, diagnostic procedures, or clinical applications.

Reaction and Applications

Item-specific facts (from Product Data)

• Manufacturer applications: Not provided beyond inclusion in a small-molecule/compound library category.

General research applications for Moligand-type small molecules

• Primary use: tool compound or screening hit candidate in biochemical, biophysical, and cell-based assays (e.g., target engagement, affinity selection MS, thermal shift assays). Specific target classes include enzymes, receptors, transporters, or protein–protein interactions, but the exact scope for TH-Z145 is not disclosed.
• Orthogonal characterization: NMR binding, SPR/BLI, ITC, DSF, CETSA, and cellular reporter assays can be used once a target is proposed.

Chemical reactivity

• Without a known structure, synthetic transformations or functional reactivity cannot be detailed. If you intend to derivatize TH-Z145 (e.g., for SAR or probe development), request the structure and any available analog data to plan modifications.

Practical considerations

• Prepare fresh DMSO stocks when feasible; filter 0.22 µm if particulates are observed and compatible with the compound.
• Track plate-map and freeze–thaw cycles to preserve integrity during screening campaigns.

Documentation

• For rigorous studies, capture lot-specific purity, identity, and solution stability data. Re-qualify after long-term storage at -80°C.

Reaction Conditions

Not applicable without a known structure. No reaction conditions, catalysts, or transformation types can be recommended for TH-Z145 as supplied.

General guidance

• If derivatization is intended, begin with compatibility screens under mild conditions and expand to more forcing conditions only after establishing stability. Typical solvent systems for small-molecule transformations include DCM, THF, MeCN, toluene, DMF/DMSO, and alcohols; bases/acids and temperatures must be tailored to the functional groups present.
• Document all conditions and outcomes carefully to build a stability profile for the compound.

Safety and Handling

Item-specific facts (from Product Data)

• Storage conditions: Store at -80°C.
• Shipping: Dry ice packs + Cold packs.
• GHS classification, signal word, pictograms, and H-statements: Not specified for this item; refer to SDS.

General safety guidance (defer to SDS as authoritative)

• Personal protective equipment (PPE): lab coat, suitable gloves (e.g., nitrile), safety glasses or goggles, and use in a chemical fume hood when weighing/dissolving.
• Avoid inhalation of dust/aerosols and contact with skin/eyes. Wash thoroughly after handling. Do not eat, drink, or smoke when using this product.
• For unknown hazard profiles, adopt a conservative approach: handle as if harmful if swallowed, inhaled, or in contact with skin; minimize exposure and prevent environmental release.
• Incompatibilities: Until the structure is confirmed, avoid strong oxidizers/reductants, strong acids/bases, and reactive acylating/alkylating agents. Segregate from peroxides and light/air if stability is unknown.

First-aid overview (general)

• Inhalation: move to fresh air; seek medical attention if symptoms occur.
• Skin contact: wash with plenty of water and soap; remove contaminated clothing.
• Eye contact: rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; continue rinsing.
• Ingestion: rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.

Spill and waste

• Small spills: absorb with inert material, collect in a chemical waste container. Dispose according to institutional and local regulations. Decontaminate surfaces and ventilate area.

Solvent Selection

Item-specific facts (from Product Data)

• No solvent recommendations or solubility data are provided for TH-Z145; refer to CoA/Spec Sheet.

General approach for small-molecule library items

• Primary choice: anhydrous DMSO is the default for library stocks due to broad solubilizing power and assay compatibility up to 0.1–1% v/v in many systems.
• Secondary options (as needed): DMF, ethanol, methanol, acetonitrile, or co-solvent systems (e.g., DMSO:water 1:1, DMSO:EtOH 1:1). Choose the lowest-toxicity solvent compatible with your assay and the compound’s chemistry.
• Aqueous work: If the compound bears ionizable groups, pH-adjusted buffers can improve solubility. Use minimal organic co-solvent in biological assays.

Selection tips (general)

• Start with a small screening panel: DMSO, MeOH, EtOH, ACN. Monitor for precipitation on dilution into assay buffer.
• Avoid reactive solvents if functional groups are unknown (e.g., avoid nucleophilic solvents for acid chlorides, avoid basic media for ester-labile compounds). Until identity is known, err on conservative conditions.

Comparison snapshot (general)

• DMSO: very high solvency; high boiling point; low volatility; can carry trace water; common for 10–50 mM stocks.
• Ethanol/MeOH: lower toxicity than many aprotic solvents; higher volatility; limited solubility for very lipophilic compounds.
• ACN: polar aprotic; good diluent for analytical methods; biological tolerance varies.

Specification caution

• None of the above are item specifications. Confirm solubility empirically and consult CoA/SDS.

Storage and Reconstitution

Item-specific facts (from Product Data)

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

General best practices for small-molecule library compounds

• Upon receipt: keep frozen until inventory. Work quickly on a cold surface to minimize thaw time. Record lot number and any CoA-reported purity/identity data.
• Solid handling: allow container to equilibrate in a desiccator to avoid condensation. If hygroscopicity is unknown, minimize ambient exposure.
• Reconstitution: prepare concentrated stock solutions (e.g., 10–50 mM) in anhydrous DMSO unless solubility dictates otherwise. Vortex and, if compatible, sonicate briefly to aid dissolution. If undissolved material persists, consider gentle warming (≤37°C) and/or co-solvent addition.
• Aliquoting: divide stocks into single-use aliquots to avoid repeated freeze–thaw. Use low-bind tubes/plates. Clearly label concentration, solvent, date, and lot.
• Storage of solutions: store at -80°C for long-term; -20°C for short-term. Protect from light if chromophores are suspected. Validate stability by periodic HPLC.

Missing specifications

• Appearance, molecular weight, and solubility: Not specified for this item; refer to CoA/Spec Sheet.

Research-use note

• For research use only. Follow institutional SOPs and consult the SDS for definitive handling guidance.

Structure and Identity

Item-specific facts (from Product Data)

• CAS: 2260887-57-6
• Product name / code: TH-Z145 (SKU: T1497667)
• Grade/Purity: Moligand™
• 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.

Computed/literature values

• Not available without a defined structure. Once a structure is provided, computed descriptors (cLogP, tPSA, HBA/HBD, rotatable bonds) can be reported.

General chemistry notes

• TH-Z145 is listed in the “small molecules and compound libraries” category. Without a disclosed structure, functional group, ring system, stereochemistry, and tautomerism cannot be described. If this item is part of a screening collection, it is typically supplied as a single, well-defined compound suitable for HTS/biochemical assay development, but verify via CoA.
• Recommended next steps: obtain the CoA/structure sheet to confirm identity, purity basis, and any salt/solvate form (free base vs salt, hydrate content). These directly affect molecular weight and solution preparation.

Synthetic Utility

Without a disclosed structure, synthetic transformations and functional-group reactivity for TH-Z145 cannot be detailed.

General considerations

• If TH-Z145 is to be used as a starting point for SAR or probe development, request the chemical structure and any available analog series. This will enable planning of diversification vectors, late-stage functionalization, and linker attachment points for bioconjugation (e.g., alkyne/azide handles for click chemistry), if present.
• For analytical tracking during synthesis or modification, establish HPLC/UPLC methods and spectral fingerprints (1H/13C NMR, HRMS).

Caution

• Do not assume reactivity, stability, or stereochemical integrity in the absence of structural information. Verify with small-scale experiments and stability-indicating assays.

Target Specificity

No target, selectivity profile, species reactivity, or binding data are provided for TH-Z145. As a library compound, it has no declared biological target.

Recommendation

• Determine specificity empirically through panel screening, counterscreens for common assay interferences, and orthogonal biophysical validation (e.g., SPR, DSF, ITC) if a target is proposed.

Foire aux questions

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2260887-57-6, the molecular formula is C16H28O7P2, and the molecular weight is 394.34 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.