LY2334737 - Moligand™,≥98% , CAS No.892128-60-8

CAS: 892128-60-8 Cat. No.: L646572 Formula: C₁₇H₂₅F₂N₃O₅ Peso molecolare: 389.39 PubChem CID: 11646777

QUALITÀ & PUREZZA Moligand™, ≥98%

Synonyms

HY-13672 | NCGC00378563-01 | 1-(2,2-difluoro-2-deoxy-beta-D-ribofuranosyl)-4-(2-propyl-1-oxopentyl)aminopyrimidin-2-one | SCHEMBL595762 | BL98401 | NCGC00378563-02 | JXRHGMJVKRFLOK-UXIGCNINSA-N | DTXSID001025742 | N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

LY2334737 is an nucleoside analog and is an orally active proagent of Gemcitabine. LY2334737 exhibits inhibitory activity against enterovirus A71 (EV-A71) infection . LY2334737 has antiviral and anticancer effects

In Vitro

Five cell lines that express CES2 responded to LY2334737 treatment. LY2334737 is less cytotoxic to a SK-OV-3 CES2 knockdown than parental cells. The drug response of CES2-transfected HCT-116 cells correlated with CES2 expression level. Bystander studies show statistically greater PC-3-GFP growth inhibition by LY2334737 when cells are cocultured with CES2 and not mock transfectants. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Oral treatment of xenograft models with 3.2 mg/kg LY2334737 once a day for 21 days shows greater tumor growth inhibition of CES2 transfectant than the mock transfectant . Metronomic LY2334737 administration causes increased blood flow in luciferase-tagged LM2-4 tumor xenografts, and this effect, readily measured using contrast micro-ultrasound, coincided with a relative increase in tumor bioluminescence. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Enterovirus A71 (EV-A71)

Specifiche

Sinonimi

HY-13672 | NCGC00378563-01 | 1-(2,2-difluoro-2-deoxy-beta-D-ribofuranosyl)-4-(2-propyl-1-oxopentyl)aminopyrimidin-2-one | SCHEMBL595762 | BL98401 | NCGC00378563-02 | JXRHGMJVKRFLOK-UXIGCNINSA-N | DTXSID001025742 | N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5

Specifiche e purezza

Moligand™,≥98%

Meccanismi biochimici e fisiologici

LY2334737 is a nucleoside analog. LY2334737 exhibits inhibitory activity against enterovirus A71 (EV-A71) infection. LY2334737 possesses antiviral and anticancer effects.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)(F)F

IUPAC Name

N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide

InChIKey

MEOYFIHNRBNEPI-UXIGCNINSA-N

INCHI

1S/C17H25F2N3O5/c1-3-5-10(6-4-2)14(25)20-12-7-8-22(16(26)21-12)15-17(18,19)13(24)11(9-23)27-15/h7-8,10-11,13,15,23-24H,3-6,9H2,1-2H3,(H,20,21,25,26)/t11-,13-,15-/m1/s1

Isomeri SMILES

CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F

CAS alternativo

892128-60-8

PubChem CID

11646777

Termini MeSH

LY2334737

Peso molecolare

389.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Classe Pyrimidine nucleosides
      • Subclass Pyrimidine 2'-deoxyribonucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: Pyrimidine nucleosides
• Subclass: Pyrimidine 2'-deoxyribonucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidine 2'-deoxyribonucleosides
• Alternative Parents: N-arylamides Pyrimidones Fatty amides Hydropyrimidines Imidolactams Heteroaromatic compounds Oxolanes Secondary alcohols Fluorohydrins Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organic oxides Primary alcohols Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidine 2'-deoxyribonucleoside - N-arylamide - Pyrimidone - Fatty amide - Hydropyrimidine - Fatty acyl - Imidolactam - Pyrimidine - Heteroaromatic compound - Oxolane - Carboxamide group - Fluorohydrin - Halohydrin - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Alkyl halide - Primary alcohol - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleosides. These are compounds consisting of a pyrimidine linked to a ribose which lacks a hydroxyl group at position 2.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : ≥ 100 mg/mL (256.81 mM)
• Peso molecolare: 389.400 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 389.176 Da
• Monoisotopic Mass: 389.176 Da
• Topological Polar Surface Area: 111.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 620.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Application Protocols

No vendor-validated assay protocols are provided for this item. Below are general, non-specific protocols suitable for many small-molecule screening compounds. Adapt to your assay system and verify compatibility.

• DMSO stock preparation (example):

  1. Equilibrate vial to room temperature in a desiccator.
  2. Weigh desired amount quickly to minimize moisture uptake.
  3. Add anhydrous DMSO to achieve 10–50 mM. Vortex and sonicate briefly if needed. If insoluble, add incremental DMSO or switch to DMF/ACN.
  4. Filter only if solubility is confirmed; use low-binding PTFE filters.
  5. Aliquot to low-dead-volume, sealed tubes or 96/384-well source plates.

• Serial dilution for dose–response:

  • Prepare 3-fold or 10-fold serial dilutions in DMSO, maintaining constant DMSO across all wells after transfer to assay buffer.

• LC/MS identity/purity check (quick screen):

  • Column: C18, 50 × 2.1 mm, 1.7–3 µm.
  • Mobile phase: Water/ACN with 0.1% formic acid (or ammonium formate for MS).
  • Gradient: 5–95% ACN over 5–10 min.
  • Detection: UV 210–280 nm and ESI± MS.

• Aggregation control (if biochemical inhibition observed):

  • Repeat assay with 0.01% nonionic detergent; check for loss of activity indicative of colloidal mechanisms.

Note: Application parameters such as tested assay types, recommended dilutions, or positive controls are Not specified for this item and should be determined empirically.

Biological Roles

No biological function, pathway role, or endogenous activity is specified for this item. LY2334737 is offered strictly for research use as a discrete small molecule in screening and discovery contexts.

• Endogenous role: Not applicable; this is not known to be a natural metabolite based on catalog context. Item-specific biological characterization is Not specified for this item; refer to literature you deem authoritative, ensuring structural identity matches the supplied lot.
• Use in assays: When used as a test article in biochemical/cellular experiments, characterize basic assay-relevant properties in-house (solubility in assay buffer, stability over the assay window, interference potential in readouts such as fluorescence or absorbance).
• ADME/T profiling (general guidance): If relevant to your program, determine microsomal stability, plasma protein binding, and permeability using standard in vitro panels. These values are not provided here and must be generated experimentally for your system.
• Off-target liability: Not specified. Apply counterscreens (e.g., aggregation checks with detergent, redox cycling assays) if hits are observed, to deconvolute mechanism-independent artifacts.

Reminder: No medical, diagnostic, or therapeutic uses are implied or supported. Any biological insights should be derived from controlled laboratory experiments, with proper controls and documentation tied to the exact CAS/CID and vendor lot.

Buffer Applications

This product is a discrete small molecule, not a buffering agent. As such, classic buffer system guidance (e.g., phosphate, Tris, HEPES preparation and pKa ranges) does not apply directly.

Practical notes for assay buffers with small-molecule test articles:

• Maintain constant organic cosolvent (typically DMSO 0.1–2% v/v) across all wells/tubes, including vehicle controls, to isolate compound effects.
• Select buffers with minimal UV/fluorescence background if optical readouts are used (e.g., HEPES or MOPS for visible-range assays). Avoid components that may chemically react with the compound (e.g., nucleophiles or strong oxidants) unless intended.
• Include mild detergent (e.g., 0.01% Tween-20) if colloidal aggregation is a concern; verify compatibility with the assay biology.
• Control ionic strength and pH drift to stabilize compound ionization state; if pKa is unknown, bracket experiments across a reasonable pH range (e.g., 6.5–8.0 for protein assays) to assess sensitivity.

Item-specific pKa, solubility, and stability in common buffers are Not specified for this item; refer to CoA/Spec Sheet or generate empirically for your use-case.

Green Alternatives

As a discrete screening compound (not a solvent or process reagent), “green alternative” considerations relate mainly to solvent selection and handling rather than replacement of the compound itself.

• Stock solution solvents:

  • Prefer DMSO for primary dissolution due to broad utility and compatibility with aqueous assays; while not “green” per se, its high boiling point lowers VOC emissions compared to volatile solvents.
  • When feasible, use ethanol or water–cosolvent systems as greener diluents for downstream steps, provided the compound remains soluble and assays tolerate these vehicles.

• Process minimization:

  • Prepare concentrated master stocks to minimize total solvent volume. Aliquot to reduce freeze–thaw cycles and waste.
  • Use LC/MS-friendly, lower-toxicity eluents (e.g., water–acetonitrile with volatile buffers) for analytical work.

• Waste and exposure reduction:

  • Favor microvolume handling (96/384-well formats) and automated liquid handlers to reduce solvent consumption and operator exposure.
  • Implement plate sealing to prevent evaporative losses and VOC release.

Comparison table (solvent choice; literature-level generalities):

• DMSO: High solubilizing power; higher boiling point reduces VOCs; disposal as organic waste.
• Ethanol: Renewable feedstocks available; excellent biodegradability; assay tolerance varies.
• Acetonitrile: LC/MS compatible; derived from petrochemical sources; handle as hazardous organic waste.

Note: No compound-level “green substitute” is proposed because the item is a specific chemical entity selected for its research value; substitution would change the research target.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or GMP suitability is provided in the Product Data. This product is supplied strictly for research use only and is not intended for human or veterinary use, clinical diagnosis, or as an active pharmaceutical ingredient.

• Regulatory/compendial status: Not specified for this item; refer to CoA/Spec Sheet. Do not assume USP/EP/JP compliance.
• Potential research-adjacent uses (non-clinical): Reference standard for analytical method development, in vitro screening compound, or tool compound in preclinical hypothesis testing—subject to independent verification of identity and purity.
• Formulation R&D (non-clinical): If solubility or stability studies are part of your research, standard excipient screens (cyclodextrins, lipid vehicles, co-solvents) may be performed; these are user-generated data and not implied by this listing.

Important restrictions:

• No therapeutic claims or clinical applications are supported by this listing.
• Not for use in compounding, diagnostic procedures, or manufacture of drugs for human/animal administration.

Quality note:

• Grade is Moligand™; numeric purity, residual solvents, water content, and elemental impurities are Not specified for this item; refer to CoA/Spec Sheet for the supplied lot.

Physical Properties

Item-specific physicochemical parameters are not supplied in the Product Data. Use the CoA/Spec Sheet for definitive values.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): Not applicable/rarely reported for complex small molecules; Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable for solids; Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet. Practical guidance is provided below for preparing DMSO stocks when properties are unknown.
• LogP/logD (literature/computed): Not specified here; consult cheminformatics calculation based on the verified structure from the CoA.
• pKa(s) (literature/computed): Not specified here; determine by potentiometric titration or UV-metric methods if needed for formulation.

General laboratory considerations when properties are unknown:

• Begin with small-scale solubility screens in anhydrous DMSO, DMF, or mixtures with water/aqueous buffer (e.g., DMSO:water 1:1), escalating to stronger solubilizers (PEG400, ethanol) if required.
• If hygroscopicity is uncertain, minimize exposure to ambient humidity; weigh rapidly in a dry box or under dry nitrogen.
• For thermal behavior (e.g., polymorphism, amorphous content), differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) can be informative before scale-up or long-term storage.

Quality and Grades

• Grade/Purity: Moligand™ (as provided). This internal designation indicates suitability for small-molecule discovery workflows, assay development, and screening campaigns where consistent identity and practical purity are prioritized for SAR and ligand profiling.

What Moligand™ typically entails (general guidance):

• Identity control: Verified by orthogonal analytical methods (e.g., NMR and MS). Lot-linked documentation is typically available upon request (CoA/Spec Sheet). Always confirm against your lab’s acceptance criteria.
• Purity intent: High practical purity fit for screening; exact assay method and specification window are lot-dependent. Item-specific numeric purity is Not specified for this item; refer to CoA/Spec Sheet.
• Solubility performance: Often provided as dry solid optimized for DMSO-stock preparation. If pre-dissolved forms are required, contact support for custom formats.
• Trace impurities (water, residual solvents, metals, stabilizers): Not specified for this item; refer to CoA/Spec Sheet. Do not assume pharmacopeial limits unless explicitly stated.

How to use this grade effectively:

• For biochemical/biophysical assays, prepare fresh DMSO master stocks and dilute into assay buffer to keep final DMSO ≤1–2% v/v unless your assay tolerates higher.
• For cell-free or surface-based binding assays (SPR, BLI, DSF), include a DMSO-matching control series to correct for refractive index/thermal shift artifacts.
• For LC/MS QC on receipt: run a quick purity/identity check under your platform method to lock internal IDs to the shipped lot.

Reaction and Applications

This product is positioned as a Moligand™ small-molecule intended for discovery and screening workflows rather than as a synthetic reagent. Consequently, it is not typically employed as a stoichiometric reactant, catalyst, or solvent in preparative organic synthesis.

Recommended application domains:

• Target-agnostic screening: Biochemical, biophysical, and phenotypic assay panels where compound identity/purity support SAR hypothesis generation.
• Binding studies: Use in surface-based methods (SPR/BLI), thermal-shift assays (DSF), or microscale thermophoresis (MST) subject to solubility and optical properties.
• Analytical reference: Potential use as a reference standard in LC/MS method development tied to the exact CAS/CID, provided identity is verified in-house.

Not typically applicable:

• Named reactions, cross-couplings, or reagent roles are not relevant for this item without a defined synthetic handle and reactivity profile.

Practical notes for discovery usage:

• Confirm concentration by UV or quantitative NMR if extinction coefficients are unknown. For UV, run a quick scan (200–400 nm) to select interference-free assay wavelengths.
• Dose-response setup: Prepare serial dilutions in DMSO and backfill with DMSO to maintain constant solvent across wells.
• Adsorption mitigation: Pre-rinse tips/plates with dilute DMSO or include a low level of nonionic detergent (if assay-compatible) to reduce edge losses with hydrophobic chemotypes.

Reaction Conditions

Not applicable in the traditional sense: LY2334737 (Moligand™ grade) is offered as a discrete research compound, not a reagent for driving chemical reactions. Consequently, standard “reaction condition” guidance (solvent, catalyst, temperature, stoichiometry) is not provided.

If your research necessitates chemical manipulation of this molecule (e.g., metabolite synthesis, isotopic labeling), proceed only after obtaining the exact structure and ensure the following general practices:

• Start with micro-scale scouting reactions (≤5 mg) to probe stability toward acids/bases, redox conditions, and heat. Use analytical LC/MS to monitor integrity.
• Choose mild, chemoselective transformations compatible with the tentative functional landscape (once verified), avoiding harsh reagents until stability is understood.
• Employ anhydrous, oxygen-free techniques when exploring moisture/air-sensitive motifs; however, such sensitivities are Not specified for this item.
• Purification: Plan for preparative LC if polarity/complexity is high; normal-phase silica may be unsuitable for labile or highly polar chemotypes.

Because no reaction benchmarks, yields, or named-reaction precedents are provided for this specific item, all condition-setting should be empirically determined and documented within your lab’s method development records.

Safety and Handling

Safety information specific to this item (GHS classification, hazard statements, pictograms) is not provided in the Product Data. Always consult the product SDS for authoritative guidance. General laboratory precautions for small molecules of unknown hazard classification include:

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

Best practices:

• Engineering controls: Work in a certified chemical fume hood or ventilated enclosure to avoid inhalation of particulates or vapors.
• PPE: Lab coat, safety glasses, and disposable nitrile gloves as a baseline. Upgrade to splash goggles and double-gloving if handling concentrated solutions or unknown toxicology.
• Avoidance of exposure: Prevent skin contact and ingestion. Do not pipette by mouth. Wash thoroughly after handling. Decontaminate surfaces with suitable solvents/detergents; collect waste per institutional policy.
• Incompatibilities: Unknown; as a precaution, avoid strong oxidizers and strong acids/bases until compatibility is confirmed.
• First aid (overview; defer to SDS): Eye/skin contact—rinse with water for 15 minutes; remove contaminated clothing. Inhalation—move to fresh air. Ingestion—rinse mouth; seek medical attention. Provide SDS to responders.
• Spills: For solids, dampen to avoid dust; collect with disposable tools into a sealable container. For solutions, absorb with inert material.
• Waste: Dispose as organic laboratory chemical waste. Segregate halogenated from non-halogenated solvents as applicable.
• Special notes: Unknown sensitization or reproductive toxicity profile—practice heightened caution to avoid chronic exposure.

Solvent Selection

Because item-specific solubility data are not provided, use a tiered solvent strategy common to screening compounds:

• Primary solvent for stocks: Anhydrous DMSO is typically first choice for Moligand-grade small molecules due to broad solubilizing power and assay compatibility.
• Secondary cosolvents: DMF, acetonitrile, ethanol, isopropanol. Employ mixed systems (e.g., DMSO:ACN 1:1) to mitigate viscosity or crystallization on freezing.
• Aqueous compatibility: Prepare concentrated DMSO stocks (10–50 mM) and dilute into aqueous buffer with vigorous mixing. Pre-wet plasticware with DMSO to reduce adsorption for sticky compounds.

General solvent properties (literature values for planning):

• DMSO: polar aprotic, dielectric constant ~47 (20°C), miscible with water, good for most heteroatom-rich organics.
• DMF: polar aprotic, dielectric constant ~37, miscible with water; consider toxicity and residual DMF in assays.
• Acetonitrile: polar aprotic, dielectric constant ~37, fully miscible with water; low viscosity, LC/MS friendly.
• Ethanol: polar protic; good for some neutral/lipophilic compounds; consider assay tolerance.

Comparison (practical):

• DMSO vs ACN: DMSO offers higher solubility for HBD/HBA-rich molecules; ACN is preferred when lower viscosity and rapid evaporation are needed (e.g., LC autosamplers).
• DMF vs DMSO: Similar solvation but DMF is generally avoided in biological assays; reserve for analytical sample prep.

Tips:

• If precipitation occurs upon aqueous dilution, lower compound concentration, seed with surfactant-free BSA (if compatible), or increase DMSO carryover modestly within assay limits.
• Filter stock solutions only if solubility is confirmed to avoid analyte loss by adsorption.

Storage and Reconstitution

• Storage conditions (as provided): Store at -20°C. Shipments are made in an ice chest with ice pads to maintain a cold chain.

Best practices on receipt:

• Allow the sealed container to equilibrate to room temperature inside a desiccator before opening to prevent condensation.
• If long-term storage is planned, consider subdividing into single-use aliquots under dry, inert atmosphere to minimize freeze–thaw and moisture exposure.

Solid handling:

• Hygroscopicity is unknown; minimize exposure to ambient humidity. Use dry spatulas and weigh rapidly.

Reconstitution guidance (general for screening compounds):

• Primary solvent: Anhydrous DMSO is recommended for initial dissolution unless your internal data indicate a superior vehicle.
• Concentration: Prepare 10–50 mM master stocks where solubility permits. Verify clarity visually; if needed, sonicate briefly or warm gently (≤37°C).
• Filtration: Only after confirming complete dissolution; use low-binding PTFE filters to avoid analyte loss.

Aliquoting and stability:

• Dispense into amber or opaque microtubes/plates if photolability is suspected; otherwise, store in low-binding polypropylene vials.
• Store aliquots at -20°C or below. Avoid repeated freeze–thaw; thaw only once and keep working solutions at 2–8°C during the experiment.
• Aqueous working solutions: Prepare fresh just before use; stability in water/buffer is Not specified for this item and should be established experimentally.

Documentation:

• Record lot number, preparation date, solvent, and concentration on each aliquot. Retain CoA/Spec Sheet with your lab records for traceability.

Structure and Identity

Brief overview: LY2334737 is supplied as a small-molecule screening/ligand candidate (Moligand grade). Item-specific structural identifiers are limited in the provided product data.

• Product name: LY2334737 (SKU: L646572)
• CAS: 892128-60-8 (identifier provided)
• PubChem CID: 11646777 (identifier provided)
• InChIKey: 217052 (provided as-is; note that typical InChIKeys are 27-character hashes. Refer to CoA/Spec Sheet/SDS for the full key.)
• 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.

Structural description (general guidance):

• Specific ring systems, functional groups, stereochemistry, and heteroatom pattern are not provided in the item record. For unambiguous structure-based work (e.g., docking, SAR, NMR assignment), consult the Certificate of Analysis (CoA), Spec Sheet, or an authenticated database entry mapped to the exact CAS/CID above.
• If you maintain internal structure-control workflows, verify identity by orthogonal methods (e.g., 1H/13C NMR, HRMS, and, if chiral, chiral HPLC). Retain lot-linked spectra.

Data hygiene notes:

• Public registries may host multiple tautomers/salts/solvates under a single umbrella record. Confirm that the supplied material corresponds to the intended neutral form/salt form and hydration state, as applicable.
• For cheminformatics: obtain a vendor-verified SMILES/InChI and normalize with your standardizer (stereochemistry, explicit H, charge).

Synthetic Utility

This item is provided as a finished small molecule intended for screening and ligand-discovery workflows, not as a generic building block or reagent. Without item-specific structural details (functional groups, protecting groups, or reactive handles), its use as a synthetic intermediate is not recommended.

• Building-block context: Not applicable unless you possess the verified structure and have a defined transformation plan (e.g., selective deprotection or late-stage diversification). Such applications fall outside the intended use of Moligand-grade screening compounds.
• Derivatization risks: Unknown functional group compatibility and stability may result in decomposition or complex mixtures upon attempted modification. If derivatization is essential, perform microscale feasibility studies and obtain full structural characterization pre- and post-reaction.
• Reference standard utility: More appropriately, the compound can serve as an analytical reference in method development provided identity is confirmed by NMR/HRMS and purity by LC/UV/ELSD.

Conclusion: Treat this product primarily as a tool compound for research assays rather than as a synthetic substrate. For synthetic programs, procure purpose-built building blocks with known functionality, or request a custom synthesis with documented route, impurity profile, and specifications.

Target Specificity

No target, pathway, or binding specificity is provided in the Product Data for LY2334737. As a Moligand™ screening compound, it is supplied without a validated biological target assignment.

• Declared target(s): Not specified for this item; refer to literature only after verifying exact structure/lot correspondence.
• Selectivity profile: Not specified; if used in screening, incorporate orthogonal assays and counterscreens to confirm on-target effects versus assay interference.
• Species reactivity: Not applicable; this is a small molecule, not a biologic/antibody.

Recommendations for researchers:

• When a putative target is hypothesized, perform concentration–response testing across a panel of related targets to estimate selectivity windows.
• Include negative/positive controls and vehicle controls with constant DMSO to control for solvent effects.
• Apply pan-assay interference compound (PAINS) and aggregator filters as part of triage; confirm hits with orthogonal readouts.

Note: Any claims of specificity should be supported by your experimental data package (biochemical potency, cellular activity, off-target counterscreens, basic ADME, and structural verification tied to the shipped lot).

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 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 892128-60-8, the molecular formula is C17H25F2N3O5, and the molecular weight is 389.39 g/mol. InChIKey MEOYFIHNRBNEPI-UXIGCNINSA-N.

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.