SH-42 - Moligand™, 10 mM in DMSO , CAS No.2143952-36-5

CAS: 2143952-36-5 Cat. No.: S1496989 Formula: C₂₅H₃₈O₄ Molecular Weight: 402.57

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

SH-42 is a potent and selective inhibitor of human Δ 24 -dehydrocholesterol reductase (DHCR24) , with an IC 50 of 42 nM. SH-42 can lead to a significant increase in plasma desmosterol levels of mice.

Specifications

Specifications & Purity

Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Names and Identifiers

• Molecular Weight: 402.57

Application Protocols

No validated application protocols are provided for this product entry.

General guidance for screening use

• Stock preparation: Dissolve in anhydrous DMSO to a convenient concentration (e.g., 10 mM), vortex/sonicate as needed, and sterile-filter only if compatible (some compounds adsorb to filters).
• Plate handling: Dispense with acoustic or pin tools; use sealed, low-bind plates; equilibrate to room temperature before opening to limit condensation.
• Controls: Include vehicle controls matching DMSO %, positive/negative assay controls, and counter-screens to detect interference.

Refer to your institutional SOPs and assay-specific protocols for detailed methods.

Biological Roles

• No endogenous biological role or pathway assignment is available for SH-42 based on the provided data.
• As a Moligand™ library compound, SH-42 is intended purely as a research tool for in vitro or ex vivo studies. Any putative mechanism of action, target class, or pathway association must be established experimentally.

Guidance for users (general)

• Before broad deployment, perform baseline liability assessments: redox activity (HRP–phenol red), fluorescence/absorbance interference spectra, aggregation tendency (detergent-sensitive shifts), and nonspecific reactivity screens.
• If activity is observed, corroborate with orthogonal assay formats (biochemical vs. biophysical vs. cellular) to discriminate genuine target engagement from assay artifacts.

Note: No medical, diagnostic, or therapeutic use is intended or implied. For research use only (as stated in the product data).

Buffer Applications

This product is not a buffering agent and no buffer formulations are specified.

• Typical practice for small-molecule assays is to dissolve the compound in DMSO and dilute into pre-established buffers (e.g., HEPES, Tris, PBS) validated for the biological system. Selection of buffer, pH, and ionic strength should follow assay-specific requirements.
• If the compound’s pKa and solubility profile become available, buffer composition can be tuned to maintain the neutral/ionized form desired for activity or permeability (general guidance).

Green Alternatives

With unknown structure and solvent preference, “green” choices focus on minimizing DMSO load and selecting lower-impact co-solvents when compatible with the assay.

General guidance for greener handling of screening compounds

• Prefer minimal organic content in final assay wells; validate performance at 0.1–0.5% DMSO vs higher.
• Consider ethanol or glycerol/water cosolvent systems where biologically acceptable and solubility permits; recognize potential impacts on membranes or viscosity.
• Use smaller-volume, single-use aliquots to reduce waste from degraded stocks.

Illustrative comparison (general; not item-specific)

• DMSO: High solvency, excellent chemical stability; higher environmental burden, but low volumes are typical in assays.
• Ethanol: Renewable and lower-tox profile; limited solvency for highly lipophilic compounds; can perturb cells at ≥0.5%.
• PEG-400: Useful for poorly soluble compounds; viscosity and assay interference possible; cleanup challenges.
• 2-MeTHF/CPME: Greener organic options for synthetic handling, but rarely used as biological stock solvents; may not mix with water and can extract plastics.

Practical steps

• Optimize concentration to the minimum needed for screening; adopt sealed plates to reduce solvent loss; standardize quench/stop solutions to avoid unnecessary solvent use.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing application is specified for this item. SH-42 (Moligand™) is supplied strictly for research use.

General considerations for discovery workflows

• If used in pre-formulation screening or ADME assays, document salt form, polymorph, and solvates when known, as these can impact permeability and stability.
• Do not use in humans or animals for therapeutic purposes. No GMP status is claimed or implied.

Item-specific note

• Any claims about dosage form compatibility, impurity thresholds, or stability-indicating methods are not provided here and should be derived from internal method development if needed.

Physical Properties

Item-specific physico-chemical data are not provided in the current record.

• Appearance: 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 specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet. (General guidance for library compounds: prepare stock solutions in anhydrous DMSO; see Storage & Reconstitution.)
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index/UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

Notes for users (general, literature-level guidance)

• For unknown structures, initial solubility screening in DMSO (10–50 mM) followed by dilution into assay buffers containing 0.1–1% DMSO is common practice (general screening practice, not item-specific).
• If hygroscopicity or polymorphism is a concern, confirm by DSC/TGA/XRPD as appropriate before critical use.

Quality & Grades

• Grade/Purity: Moligand™ (as listed)

What Moligand™ generally signifies

• Moligand™ denotes a small-molecule library/screening grade intended for discovery applications in chemical biology and medicinal chemistry, including HTS, fragment/lead screening, and assay development.
• Emphasis is typically on identity verification, consistent handling, and suitability for DMSO stock preparation for in vitro assays. Exact purity specifications, counter-ions, residual solvents, water content, or stabilizers are not stated here.

Item-specific notes

• Purity, analytical methods (e.g., HPLC/LC–MS/NMR), residual solvent, water content, metal limits, or UV profile: Not specified for this item; refer to CoA/Spec Sheet.
• Appearance and salt/form: Not specified for this item; refer to CoA/Spec Sheet.

Best practices for screening-grade compounds

• Upon receipt, verify identity with a quick check (e.g., LC–MS) before committing to large screenings.
• Prepare single-use aliquots to minimize freeze–thaw and moisture uptake; document lot, concentration, and date.
• For structure- or salt-form-sensitive compounds, run orthogonal purity checks (e.g., HPLC at two wavelengths) to ensure assay artifacts are minimized.

Reaction & Applications

This product is positioned as a small-molecule research ligand (Moligand™) rather than a classical reagent or building block. Without structure, reaction chemistry use-cases are inherently limited.

Research applications (general for library members)

• Chemical biology: Probe candidate for phenotypic or target-based assays to discover modulatory activity (enzyme, receptor, transporters), followed by orthogonal confirmation.
• Screening: Suitable for HTS, uHTS, or focused library evaluation; compatible with DMSO stock handling and plate-based dispensing.
• SAR development: If activity is observed, analog-by-catalog or custom synthesis can explore substituent effects; maintain consistent lot and salt form when comparing.
• Counter-screening and PAINS vigilance: Employ orthogonal detection modes and redox/aggregation controls to identify assay interference (general guidance).

Not typically applicable

• Named synthetic reactions, catalysts, or stoichiometric roles cannot be recommended without knowing functional groups. If synthetic use is intended, obtain the structure and consult standard reactivity guides for that scaffold class.

Reaction Conditions

No reaction conditions are provided for SH-42, and without structure, generalizations would be unreliable.

Guidance if using in chemical reactions (non-standard for this product)

• Start with mild, neutral conditions and monitor by LC–MS to assess stability in common organic solvents (DCM, MeCN, THF, toluene) before attempting more forcing conditions.
• Avoid strong acids/bases, oxidants/reductants, and high-temperature steps until stability is established.

For biological assay preparation (more typical use)

• Prepare concentrated DMSO stocks (e.g., 10–50 mM), verify solubility visually and by UV/LC–MS, and dilute into assay buffer to the desired final concentration with mixing to prevent precipitation.
• Maintain consistent DMSO percentage across wells/conditions to avoid solvent-driven artifacts (general best practice).

Safety & Handling

GHS and hazard data are not provided in the current product entry.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / H-statements / pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (best practice)

• Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile). Avoid inhalation, ingestion, and skin/eye contact.
• Avoid aerosol generation and dust formation if the material is a solid. If supplied in solution, prevent splashes and cap tightly to limit solvent evaporation.
• Storage incompatibilities: Absent a defined structure, avoid strong oxidizers/reducers and reactive bases/acids until compatibility is known. Segregate from foodstuffs and incompatible chemicals.
• First aid (overview; defer to SDS): In case of skin/eye contact, rinse with water for at least 15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth and seek medical attention.
• Spill response: Contain, absorb with inert material, collect in a chemical waste container. Decontaminate area according to institutional procedures.
• Waste disposal: Dispose according to local regulations for organic laboratory chemicals.

Always consult the official Safety Data Sheet (SDS) for authoritative, item-specific hazard and response information.

Solvent Selection

Because the chemical structure and polarity are not provided, solvent guidance is given in general terms appropriate for small-molecule screening compounds.

• Primary vehicle for stocks: Anhydrous DMSO is the default solvent for discovery libraries due to broad solubilizing power and assay compatibility at 0.1–1% v/v.
• Secondary vehicles: Ethanol (200 proof), methanol, or acetonitrile can be used for co-solvent systems if DMSO alone is insufficient. Validate assay tolerance to each.
• Aqueous dilution: Prepare concentrated DMSO stocks (e.g., 10–50 mM), then dilute into buffer/media with vigorous mixing to avoid precipitation. Keep final DMSO low to protect cells/enzymes (typical ≤0.5% v/v; assay-dependent, literature guidance).
• Solubility screening workflow:
  • Start: 10 mM in DMSO. If insoluble, warm gently (≤40 °C) and vortex/sonicate briefly.
  • If still insoluble: Reduce target concentration (e.g., 5 mM) or add co-solvent (ACN/EtOH 5–20% of organic fraction) before aqueous dilution.
• Avoid: Non-miscible or reactive solvents until compatibility is known. Do not assume stability in aqueous buffers without data.

Comparison (general)

• DMSO vs ACN: DMSO offers higher solubilization; ACN is more volatile and often less tolerated biologically. Ethanol is greener but may affect membrane integrity in cell assays at ≥0.5%.

Storage & Reconstitution

Storage

• Store at -80°C (as specified). Maintain desiccation and protect from light if possible. Minimize freeze–thaw by preparing single-use aliquots.
• Shipped on dry ice packs + cold packs (as specified). Inspect upon receipt; if thawed, re-freeze promptly and assess integrity by analytical check if critical.

Reconstitution and handling (general best practice for library compounds)

• Solvent: Use anhydrous DMSO for initial stock solutions. Begin at 10–50 mM depending on expected solubility; warm gently (≤40°C) and vortex/brief sonication if needed.
• Aliquoting: Dispense into low-bind, inert tubes or plates. Flush headspace with inert gas if compound is air/moisture sensitive (unknown here—exercise caution).
• Storage of solutions: -80°C for long-term; -20°C for short-term working stocks. Avoid repeated freeze–thaw; record concentration, lot, and date.
• Aqueous dilution: Add stock to buffer with rapid mixing to achieve final assay DMSO content typically ≤0.5% v/v (assay-dependent). Inspect for precipitation; if observed, reduce concentration or adjust co-solvent.

Item-specific parameters (water content, stability window, light sensitivity): Not specified for this item; refer to CoA/Spec Sheet.

Research use only (as stated).

Structure & Identity

• SKU: S1496989
• Product name: SH-42 (Moligand series)
• CAS: 2143952-36-5
• 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

• Detailed functional groups, ring systems, and stereochemistry are not provided in the current product data. Please consult the CoA/Spec Sheet for definitive structural information associated with CAS 2143952-36-5.
• As a Moligand small-molecule library member, SH-42 is intended for screening and chemical biology; no additional identity constraints are implied without the structure.

2D description (general)

• Without an available structure or SMILES, a descriptive 2D structural summary cannot be provided. When available, the SMILES/InChI can be translated to a 2D depiction to enumerate heteroatoms, aromaticity, and stereocenters.

Synthetic Utility

The product is offered as a screening/ligand candidate rather than a synthetic building block. Without structural information, specific transformations, protecting-group strategies, or named-reaction participation cannot be advised.

If synthetic use is contemplated

• Obtain and review the full structure (CoA/Spec Sheet) to assess functional handles (e.g., aryl halides for cross-coupling, amines for acylation, heterocycles for N-oxidation).
• Confirm stability under planned reaction conditions via small-scale tests and analytical monitoring (LC–MS/HPLC).
• Consider starting from known analogs or scaffolds with established chemistry to streamline exploratory synthesis and SAR expansion.

Bottom line: Treat this item principally as a research probe candidate unless and until the structure indicates clear synthetic value.

Target Specificity

• Target, pathway, or mechanism-of-action information is not specified for this item. No selectivity profile, binding constants, or off-target data are provided.
• Users should establish target engagement experimentally using appropriate biochemical/biophysical assays (e.g., enzyme kinetics, SPR/BLI, DSF, CETSA) and confirm in orthogonal formats.

All target-related claims must be supported by user-generated data; none are implied by this listing.