LY137150 , CAS No.86315-69-7

CAS: 86315-69-7 Cat. No.: L1451522 Formula: C₁₄H₁₄ClN₃OS Molecular Weight: 307.80

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

LY137150 (2) and LY163252 (4) are products of LY175326 metabolism in rats or dogs. The preparation of LY175326 labeled with 14C at the methylthiol group provides a sensitive method to determine whether the metabolically produced LY137150 (2) is further metabolized by S-demethylation.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Names and Identifiers

• Molecular Weight: 307.80

Application Protocols

No tested applications or protocols are provided for this item.

Item-specific facts (from Product Data)

• Validated applications (e.g., WB, IHC, IF, FC) / recommended dilutions / controls: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (not item-specific)

• For biochemical or cell‑based assays, prepare fresh working solutions from concentrated stocks, verify solubility at working concentrations, and include vehicle controls to account for co‑solvent effects.
• Record batch number, stock concentration, solvent, and preparation date on all containers. For long experiments, confirm solution stability by LC‑MS or HPLC over the assay period.
• Where applicable, include positive/negative controls and replicate wells to ensure statistical robustness.

Contact Aladdin Scientific for any available internal test data or user‑contributed application notes for LY137150.

Biological Roles

No biological function, target, or pathway information is provided for this item.

Item-specific facts (from Product Data)

• Category Path: 生命科学 (Life Science)
• Research Use Note: For research use only.

General notes (not item-specific)

• Small molecules with internal code names are often used as tool compounds to interrogate biochemical pathways (e.g., enzyme inhibition/activation, receptor modulation). However, without structure or validated bioactivity data, no biological roles can be assigned.
• If you intend to use this material in biological systems:
  • Perform an internal qualification that includes identity, purity, endotoxin (if relevant), and carryover solvent checks.
  • Establish a dose–response curve, cytotoxicity baseline, and off‑target profiling as needed for your system.
  • Confirm stability and lack of assay interference (fluorescence/absorbance overlap, redox activity, aggregation) under your assay conditions.

Not available for this item (must be obtained from literature/CoA)

• Molecular target(s), EC50/IC50 values, selectivity panel, permeability/metabolic stability data: Not specified for this item; refer to CoA/Spec Sheet or primary literature if applicable.

Compliance reminder

• This product is supplied strictly for laboratory research. It is not intended for diagnostic, therapeutic, or human/animal consumption uses.

Buffer Applications

Buffer preparation guidance is not applicable without knowing the compound’s ionization state and intended concentration range.

Item-specific facts (from Product Data)

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

General guidance (not item-specific)

• If the compound is neutral and poorly water‑soluble, prepare a DMSO concentrate and dilute into a biologically compatible buffer (e.g., PBS, HEPES, or Tris), ensuring the final co‑solvent percentage is within assay tolerance.
• If the compound is ionizable, select a buffer system that maintains it in the desired protonation state to optimize solubility and stability:
  • Weak acids: use pH > pKa (e.g., phosphate pH 7.4) to increase solubility of the anion.
  • Weak bases: use pH < pKa (e.g., citrate pH 5–6) to increase solubility of the cation.
• Evaluate salt formation (e.g., HCl, citrate, or sodium salts) if permitted and if structure supports it.

Not available for this item

• Buffer recipes, working concentration ranges, compatibility with salts/surfactants: Not specified for this item; refer to CoA/Spec Sheet.

Recommendation

• Conduct a small‑scale buffer compatibility and stability screen (visual inspection + LC‑MS at time zero and after 24–48 h) before committing to assay plates.

Green Alternatives

Without structure or defined use conditions, green chemistry considerations focus on solvent and process choices rather than the substance itself.

General guidance (not item-specific)

• Prefer safer solvents for handling and formulation: water where feasible, or bio‑derived/low‑toxicity organics such as ethanol, ethyl acetate, 2‑MeTHF, CPME, or propylene carbonate in place of chlorinated or highly toxic solvents—subject to solubility and stability testing.
• Minimize DMSO/DMF/NMP where alternatives suffice, due to reproductive toxicity concerns (especially for DMF/NMP). For assay stocks, keep DMSO to the lowest effective percentage.
• Use microscale workups and solid‑phase extraction to cut solvent use. Implement closed‑loop solvent recovery where practical.
• Employ energy‑efficient conditions (ambient temperature/pressure) and catalytic methods if any synthesis or modification is undertaken.

Illustrative comparison (general)

• Traditional polar aprotic: DMF, NMP (high solvency, higher toxicity, difficult to remove)
• Greener replacements: Cyrene, propylene carbonate, ethyl lactate (lower toxicity/biogenic, viscosity/compatibility tradeoffs)

Verification step

• Always confirm that alternative solvents do not compromise stability, assay readouts, or analytical responses. Validate with side‑by‑side controls.

Item-specific note

• No substance-specific alternatives can be proposed for LY137150 until its structure and hazard profile are disclosed.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is provided for this item.

Item-specific facts (from Product Data)

• Intended use: For research use only.
• Grade: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (not item-specific)

• Materials supplied for research use are not qualified for human or veterinary applications and are not manufactured under GMP. They should not be used in API manufacture, clinical studies, or commercial formulations.
• If preformulation studies are planned in a research context, develop foundational data (pKa, logP/logD, solubility vs pH, solid form) and screen enabling formulations (cyclodextrins, lipid vehicles, amorphous dispersions) strictly for nonclinical research.
• If eventual clinical translation is envisioned, source or synthesize material under appropriate quality systems and establish impurity profiles, residual solvents, and stability per ICH guidelines.

Not available for this item

• Compendial monographs, excipient acceptance criteria, dosage form precedents: Not specified for this item; refer to CoA/Spec Sheet.

Physical Properties

Item-specific physical constants are not provided in the current listing. Do not infer values; verify on the CoA/SDS for the specific lot.

Item-specific facts (from Product Data)

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

Literature/computed properties (not item-specific)

• Without a disclosed structure, literature values such as melting point (MP), boiling point (BP), pKa, logP/logD, density, refractive index, and UV cutoffs cannot be assigned.

General guidance for unknown small molecules

• If the material is a solid, MP determination can provide a quick purity/identity check; for oils, viscosity and refractive index are informative. For UV‑active compounds, record a UV–Vis spectrum to find λmax for assay development.
• Assess solubility systematically: screen DMSO, DMF, ethanol, methanol, acetonitrile, and aqueous buffers (with pH variation) at small scale. Note any color change or exotherm on dissolution.
• Hygroscopicity and polymorphism can affect handling and assay performance. Where possible, determine Karl Fischer water content and monitor for form changes by PXRD or DSC.

Not available for this item (must be taken from the CoA if needed)

• BP/MP, density, pKa, logP/logD, solubility, refractive index, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.

Quality & Grades

Item-specific quality descriptors are not provided in the current listing.

Item-specific facts (from Product Data)

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

General guidance on grades (not item-specific)

• Research grade: Typical for discovery/assay work; purity and impurities are reported on a CoA, but criteria vary by supplier. Suitable for most in vitro studies after internal qualification.
• Analytical/HPLC grade (for solvents) or ≥98–99% (for neat solids): Emphasizes low UV background and low nonvolatile residues; useful for sensitive analytical or bioassay applications.
• Pharmacopeial/GMP grade: Requires compliance with compendial monographs and quality systems; not applicable here unless explicitly stated.

What to verify on receipt

• Purity method: HPLC/UPLC with chromatogram and method parameters; include detection wavelength(s) and gradient.
• Identity: 1H/13C NMR and HRMS (or elemental analysis). Consider chiral HPLC if stereochemistry is relevant.
• Residual solvents/metals/water: Not specified for this item; refer to CoA/Spec Sheet. If your application is sensitive, perform orthogonal checks (KF for water, ICP‑MS for metals, GC for residual solvents).
• Stabilizers/salt form: Not specified for this item; refer to CoA/Spec Sheet.

Recommendation

• For quantitative biology or medicinal chemistry, define an internal fit‑for‑use criterion (e.g., purity by area %, single main peak, controlled counter‑ion) and qualify each lot against your method.

Reaction & Applications

Manufacturer-supplied application details are not provided for this item. Without a disclosed structure, specific reactivity or mechanistic roles cannot be assigned.

Item-specific facts (from Product Data)

• Manufacturer Applications: Not specified.

General research-use contexts for coded small molecules (not item-specific)

• Biological screening: Often used as tool compounds or reference standards in biochemical or cellular assays after internal verification of identity/purity.
• Analytical reference: Can serve as a retention/time/response reference in LC‑MS once a method is developed (establish λmax and ionization mode empirically).
• Method development: Stability‑indicating HPLC/UPLC methods (acid/base/oxidative/thermal stress) are recommended to define handling and storage limits.

Practical tips

• Establish a robust dissolution protocol and confirm absence of aggregation/precipitation at working concentrations (DLS or light‑scattering checks if critical).
• For long assays, confirm solution stability over the assay duration (e.g., LC‑MS at 0/2/6/24 h in matrix). Evaluate adsorption losses to plastics vs glass.
• If synthetic transformations are intended (e.g., for analog synthesis), obtain structural disclosure first; then plan protection/deprotection and diversification strategies accordingly.

Note

• No specific chemical reactions (e.g., cross‑coupling, nucleophilic substitutions) can be recommended without knowledge of functional groups.

Reaction Conditions

Specific reaction conditions cannot be provided without knowledge of LY137150’s structure and functional groups.

Item-specific facts (from Product Data)

• None available.

General guidance (not item-specific)

• If using LY137150 in a chemical reaction (e.g., as a substrate or coupling partner), perform a small‑scale feasibility study first to identify solvent compatibility, temperature limits, and stability toward bases/acids/oxidants/reductants.
• Screen mild conditions before harsh ones; monitor with LC‑MS or TLC to detect degradation pathways. Protect from moisture/oxygen if sensitive functionality is suspected.
• For bioconjugation or labeling contexts, characterize nucleophilicity/electrophilicity and confirm absence of interfering functionalities.

Not available for this item

• Solvent preferences, catalyst systems, temperature ranges, typical yields: Not specified for this item; refer to CoA/Spec Sheet.

Safety & Handling

Always consult the official SDS for authoritative safety information. In the absence of full hazard classification, handle as a potentially hazardous small molecule.

Item-specific facts (from Product Data)

• GHS Classification / Pictograms / Signal Word / H‑Statements: Not specified for this item; refer to SDS.
• Storage Conditions: Store at −20°C.
• Shipped In: Ice chest + ice pads (cold chain).

General safety guidance (not item-specific)

• PPE: Lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use in a certified fume hood to minimize inhalation exposure.
• Avoid: Inhalation of dust/aerosols, skin/eye contact, and ingestion. Prevent environmental release; collect waste in labeled containers per institutional protocols.
• First aid (overview): If inhaled—move to fresh air, seek medical attention if symptoms persist. Skin contact—wash with soap/water, remove contaminated clothing. Eye contact—rinse cautiously with water for at least 15 minutes, seek medical advice. Ingestion—rinse mouth, do not induce vomiting, seek medical attention.
• Incompatibilities: Unknown for this item; as a precaution, avoid mixing with strong oxidizers, strong acids/bases, and reactive reducing agents unless compatibility is confirmed.
• Thermal/photostability: Cold storage suggests potential instability at ambient temperature; protect from heat. In the absence of data, protect from light.
• Spill response: Contain with inert absorbent, avoid dust generation, clean area with suitable solvent/detergent while maintaining ventilation.

Note: Establish substance-specific exposure controls only after reviewing the SDS and any available toxicological data.

Solvent Selection

Item-specific solubility and polarity data are not disclosed. Select solvents empirically while observing stability.

Item-specific facts (from Product Data)

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

General solvent strategy for small-molecule stocks (not item-specific)

• Primary screening solvents: DMSO (anhydrous), DMF, NMP, ethanol, methanol, acetonitrile. Begin with DMSO for bioassay stock solutions due to broad solvation and biocompatibility at low final %.
• Aqueous work: Prepare concentrated DMSO stocks (e.g., 10–50 mM; verify stability) and dilute into buffered media, keeping final DMSO ≤0.1–1% v/v as assay allows. If precipitation occurs, co-solvents (ethanol, PEG‑400) or surfactants (0.01–0.1% Tween‑80) may help; validate for assay interference.
• Water solubility: Unknown. If ionizable, adjust pH to favor the soluble form (acidic compounds dissolve better at high pH; basic at low pH). Confirm pKa first—do not assume without data.
• Drying/quality: Use anhydrous, oxygen‑free solvents for sensitive materials. Filter stocks (0.2 µm PTFE) if particulate forms.

Comparison notes (general)

• DMSO vs DMF: DMSO is preferred for biological testing due to lower toxicity and easier handling. DMF/NMP can improve solubility for very lipophilic compounds but may be less compatible with cells/enzymes.
• Aqueous buffers: PBS, HEPES, or Tris are typical diluents after a DMSO concentrate; confirm compound stability in each matrix.

Storage & Reconstitution

Item-specific storage and shipping conditions are provided below; reconstitution advice is general and should be tailored once solubility/stability data are known.

Item-specific facts (from Product Data)

• Storage Conditions: Store at −20°C.
• Shipped In: Ice chest + ice pads (maintain cold chain).
• Appearance: Not specified for this item; refer to CoA/Spec Sheet.

General reconstitution guidance (not item-specific)

• Allow container to equilibrate to room temperature in a desiccator before opening to minimize moisture condensation.
• For small‑molecule tools, prepare a concentrated stock in a suitable solvent (commonly anhydrous DMSO) after confirming solubility and stability. Typical research stocks are 10–50 mM; choose concentration based on assay needs and solubility limit. Filter if particulates are present (0.2 µm PTFE).
• Aliquot stocks into single‑use vials to avoid repeated freeze–thaw. Store aliquots at −20°C (or as supported by stability data). Record preparation date and solvent.
• Avoid prolonged exposure to light and air if the compound is air‑/photo‑sensitive (status unknown—use caution until verified). Flush headspace with inert gas for oxygen‑sensitive materials.

Stability notes

• Long‑term stability, solution stability, and freeze–thaw tolerance are not specified for this item; refer to CoA/Spec Sheet. Verify by periodic analytical checks (HPLC/LC‑MS) of retained samples.

Disposal

• Dispose of unused solutions and materials in accordance with institutional chemical waste procedures.

Structure & Identity

Item-specific structural identifiers for this product are not provided in the current listing. Please consult the CoA/SDS or contact Aladdin Scientific for definitive identity data.

Item-specific facts (from Product Data)

• SKU: L1451522
• Product Name: LY137150
• CAS: 86315-69-7
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

General chemistry notes (context, not item-specific)

• Compounds designated with internal codes (e.g., “LY######”) are commonly small‑molecule research tools or leads. Without structural disclosure, no assumptions should be made about functional groups, stereochemistry, or ionization state.
• Typical identity data that should be verified on the CoA include: structure (2D depiction or SMILES), MW, exact mass, elemental composition, and unambiguous identifiers (InChI/InChIKey). Spectral packages (1H/13C NMR, HRMS, IR) and purity by HPLC/GC are recommended for lot verification.

How to describe 2D structure (guidance)

• When available, list key features such as: ring systems (aliphatic/aromatic/heteroaromatic), heteroatoms (N, O, S, halogens), substituent pattern, and any chiral centers or geometric isomerism. Include protonation state if a salt form is supplied.

Verification reminder

• Match CAS, structure, and batch-specific spectral data before use in regulated or quantitative studies.

Synthetic Utility

No structural information is available; therefore, specific synthetic roles or transformations cannot be recommended for this item.

Item-specific facts (from Product Data)

• Chemical functionality, protecting groups, reactive handles: Not specified for this item; refer to CoA/Spec Sheet.

General considerations (not item-specific)

• If LY137150 is intended as a synthetic intermediate or scaffold, obtain the disclosed structure and characterize reactive functional groups (e.g., halides for cross‑coupling, carbonyls for additions/condensations, amines/alcohols/acids for derivatization).
• For SAR campaigns, plan modular diversification via robust couplings (amide formation, Suzuki–Miyaura, Buchwald–Hartwig, reductive amination) after confirming the presence of suitable handles.
• Assess chemoselectivity and protecting group needs through small‑scale scouting. Establish orthogonal analytical methods (LC‑MS, NMR) for rapid decision‑making.

Quality linkage

• Define impurity acceptance criteria and purification strategies (preparative HPLC vs crystallization) based on the compound’s polarity and stability.

Until structural data are provided, LY137150 should be treated as a finished research material rather than a general building block.

Target Specificity

No target, enzyme, receptor, or pathway information is provided for this item and none should be inferred from the code name alone.

Item-specific facts (from Product Data)

• Target/Pathway: Not specified for this item; refer to CoA/Spec Sheet.
• Selectivity profile: Not specified for this item; refer to CoA/Spec Sheet.

Guidance (not item-specific)

• If used as a tool compound, establish target engagement by orthogonal assays (biochemical potency, cellular target engagement, and mechanistic biomarkers). Confirm selectivity using a relevant counter‑screen panel.
• Verify that observed phenotypes are compound‑specific by using inactive analogs or chemical probes with distinct chemotypes where available.

Compliance reminder

• Do not use this material for diagnostic or therapeutic purposes.