LY2109761 - Moligand™, 10 mM in DMSO , CAS No.700874-71-1

CAS: 700874-71-1 Cat. No.: L1495300 Formula: C₂₆H₂₇N₅O₂ Molecular Weight: 441.52

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

LY2109761 is an orally active, selective TGF-β receptor type I/II inhibitor with K i s of 38 nM and 300 nM, respectively.

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™

Action Type

INHIBITOR

Names and Identifiers

Isomeric SMILES

C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6

Molecular Weight

441.52

Reaxy-Rn

14275148

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14275148&ln=

Application Protocols

No item-specific, tested application protocols (e.g., WB, IHC, IF, FC) are provided for this small-molecule product. General screening workflows (dose–response curves, time courses, target engagement) should be developed and validated in-house for your biological system. For this item, recommended dilutions, positive controls, and assay conditions are Not specified for this item; refer to CoA/Spec Sheet and relevant literature.

Biological Roles

General biological context (literature; not item specifications)

• LY2109761 is widely reported as a small-molecule inhibitor of transforming growth factor-β (TGF-β) receptor kinases and has been used to interrogate canonical SMAD2/3 signaling in cellular systems.
• Mechanistic framework: TGF-β ligand binding to TGF-βRII promotes transphosphorylation and activation of TGF-βRI, which then phosphorylates receptor-regulated SMADs (R-SMADs). LY2109761 has been used in vitro to attenuate this cascade, enabling studies of transcriptional responses, EMT-like phenotypes, extracellular matrix regulation, and crosstalk with MAPK/PI3K pathways.
• Applications in research: Tool compound for dissecting pathway dependencies in fibrosis models, developmental signaling, and immune regulation in cellular assays. Also employed to separate ligand-mediated versus receptor-kinase–dependent effects by pairing with ligand traps or neutralizing antibodies in orthogonal designs.

Important notes

• Potency, selectivity across the kinome, and cellular efficacy depend on assay conditions (cell type, protein binding, efflux, and metabolism). Always confirm activity in your system with appropriate positive/negative controls.
• No medical or clinical use is implied. This product is provided strictly for research use only, as stated in the Product Data.
• Item-specific target specificity and bioactivity parameters are not specified for this item; consult primary literature and validate empirically.

Buffer Applications

Not typically applicable. LY2109761 is a small-molecule research ligand, not a buffering reagent. For biological assays, prepare working solutions by diluting a DMSO stock into your assay buffer immediately before use. Maintain a consistent final DMSO percentage across controls and treated samples. Item-specific buffer compatibility is not specified for this item; verify experimentally.

Green Alternatives

This item is a targeted research ligand rather than a process solvent or bulk reagent; traditional “green replacement” analysis is not typically applicable.

Sustainability considerations (general)

• Minimize DMSO usage and prepare the smallest practical stock volumes to reduce hazardous waste.
• Use microscale assay formats (e.g., 384/1536-well plates) to lower compound consumption and solvent volumes.
• Choose aqueous assay buffers and low-percentage DMSO where performance allows; validate for precipitation and on-target activity.
• Consolidate shipments on dry ice where possible to reduce packaging and cold-chain footprint while maintaining product integrity.

If you require a probe with similar biological pathway coverage but different EHS or stability properties, consult comparative probe compendia and evaluate life-cycle impacts (solubility, stability, and waste streams). Item-specific “green alternative” equivalents are not specified for this product.

Pharmaceutical Uses

• This product is for research use only. It is not intended for human or veterinary use, medicinal formulation, or clinical applications.
• Typical roles in pharmaceutical R&D (general):
  • Reference tool compound in target validation and pathway deconvolution.
  • Positive control in assay development for receptor-kinase signaling.
  • Benchmark in SAR studies when exploring related chemical matter.
• Regulatory/compendial status: Not specified for this item; refer to CoA/Spec Sheet. No pharmacopeial monograph is implied.
• For any GLP/GMP context, obtain and qualify full documentation (CoA, SDS, impurity profile) and perform internal QC to ensure suitability for intended non-clinical use.

Physical Properties

Item-specific properties

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

Commonly referenced properties (literature/general guidance; not item specifications)

• Solubility practices for kinase inhibitors: Frequently prepared as concentrated DMSO stocks (e.g., 10 mM) for screening; aqueous solubility is often limited and formulation-dependent. Verify this item’s actual solubility on the CoA before use.
• Melting point, logP/logD, pKa, and UV–Vis characteristics are frequently reported in primary literature for this scaffold; however, these values are method- and form-dependent. Do not treat literature numbers as specifications for this catalog item.

Practical notes

• If quantitative solubility or extinction coefficients are required for assay design (e.g., absorbance normalization), determine experimentally under your exact conditions or refer to the CoA/Spec Sheet. Avoid assuming equivalence across salt forms, hydrates/solvates, or polymorphs.

Quality & Grades

• Grade designation: Moligand™
  • Moligand™ is Aladdin’s designation for small-molecule ligands intended for discovery and screening workflows. It emphasizes suitability for research use in biochemical, cellular, or target-engagement assays.
  • Purity, residual solvent levels, salt/solvate form, and analytical verification are lot-dependent. Item-specific specifications are Not specified for this item; refer to CoA/Spec Sheet.

What to look for on the CoA/Spec Sheet

• Identity confirmation: Typically by NMR and/or LC–MS/HRMS; verify that spectra correspond to the exact form you intend to use (free base vs. salt; solvate state).
• Purity: Ensure purity and chromatography trace meet your assay tolerance (e.g., for SAR screening vs. mechanistic enzymology).
• Counterions/solvates: Note any TFA/HCl or solvate content; these affect mass calculations and solubility.
• Water content and residual solvents: Not specified for this item; refer to CoA/Spec Sheet.

Assay suitability considerations

• For quantitative biology, minor impurities or alternate forms can alter potency readouts. Cross-check with internal analytical QC (LC–MS retention time, single-peak assessment) prior to screening.
• If low UV background is required (e.g., HPLC-UV quantitation), confirm absorbance characteristics of the lot; set detection wavelengths accordingly.

Reaction & Applications

This product is supplied as a research ligand and is not primarily intended as a synthetic reagent.

Research applications (literature/general)

• Pathway interrogation: Widely used as a chemical probe in vitro to modulate TGF-β receptor signaling for target validation, phenotypic screening, and mechanistic studies.
• Assay modalities: Biochemical kinase assays, cell-based reporter assays, phospho-protein readouts (e.g., pSMAD2/3 by Western blot), and high-content imaging where modulation of TGF-β pathways is under study.
• Selectivity profiling: Often included in kinase panel screens or orthogonal target engagement assays (e.g., NanoBRET/thermal shift) to benchmark on-target activity vs. off-target liabilities.

Practical tips (general; verify suitability for your lab)

• Prepare fresh DMSO stocks and aliquot to avoid repeated freeze–thaw. Filter (0.2 µm PTFE) if particulate is observed after dilution.
• Perform a solvent-only control at matched DMSO content for all assays.
• For time-course studies, verify compound stability in the assay medium over the experiment duration (LC–MS check for degradation).

Note: Item-specific activity data, target potency (IC50/Ki), and assay performance characteristics are not specified for this item; consult primary literature and the CoA/Spec Sheet.

Reaction Conditions

Not applicable to this product’s intended use. This item is a research ligand and not a reagent for synthetic transformations. There are no item-specific reaction conditions to report. If you are exploring derivatizations for probe development, follow standard medicinal chemistry optimization workflows and consult literature precedents for this scaffold.

Safety & Handling

GHS and hazard data (item-specific)

• Signal word: Not specified for this item; refer to SDS.
• Hazard statements, pictograms, and classification: Not specified for this item; refer to SDS.

General laboratory precautions (not a substitute for SDS)

• Handle in a chemical fume hood; avoid inhalation, ingestion, and skin/eye contact.
• Recommended PPE: lab coat, safety glasses or splash goggles, and appropriate chemically resistant gloves (e.g., nitrile). Change gloves regularly to minimize permeation by DMSO solutions.
• Avoid dust/aerosol formation when weighing; use antistatic tools or weigh boats as needed.
• Incompatibilities: Strong oxidizers and strong acids/bases may degrade organic kinase inhibitors; segregate from oxidants and reactive reagents. Keep away from moisture if the compound is hydrolysis-sensitive (verify on CoA/SDS).
• First aid (summary; follow institutional protocol):
  • Skin/eye contact: Rinse with water for ≥15 min; remove contaminated clothing; seek medical attention.
  • Inhalation: Move to fresh air; assist breathing if needed; seek medical attention.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
• Spill response: Absorb with inert material, collect in a sealable container for disposal. Decontaminate surfaces with suitable solvent/detergent compatible with your facility’s waste procedures.
• Waste: Dispose as organic hazardous waste according to local regulations. Always consult the product’s SDS for authoritative hazard, exposure limits, and emergency measures.

Solvent Selection

Item-specific solubility/miscibility: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule kinase inhibitors (literature/practice)

• Primary stock solvent: DMSO is commonly used due to broad solubilizing power for aromatic heterocycles and amide/urea-containing scaffolds. Typical working stocks: 1–20 mM, prepared under dry, inert conditions to minimize hydrolysis/oxidation of sensitive motifs.
• Aqueous vehicles: Dilute DMSO stocks into assay buffers just before use. Include surfactants (e.g., 0.01–0.05% Tween-20) or co-solvents if precipitation occurs; maintain final DMSO below assay tolerance (often ≤0.1–0.5% v/v in cell assays; ≤1–2% in biochemical assays).
• Alternative organic cosolvents: DMF, ethanol, or acetonitrile may assist in sample prep, but verify target/tissue compatibility for biological assays.
• Adsorption mitigation: Hydrophobic inhibitors can adsorb to plastic. Use low-binding tubes/plates or pre-condition surfaces with buffer containing protein (e.g., BSA) when compatible with the assay.

When to choose DMSO vs alternatives

• DMSO: Highest success rate for concentrated stocks; broad compatibility.
• Ethanol/ACN: Faster evaporation and lower viscosity but narrower solubility coverage and potential target disruption.
• For this item, confirm actual solvent compatibility on the CoA and validate empirically at experimental concentrations.

Storage & Reconstitution

Storage (item-specific)

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

Handling guidance

• Upon receipt, keep frozen. Minimize freeze–thaw by aliquoting the solid (if applicable) or any prepared stock solution into single-use portions.
• Protect from moisture and light during handling; use desiccation and amber vials if stability is light- or hydrolysis-sensitive (verify on CoA/SDS).

Reconstitution

• Item-specific reconstitution solvent and concentration: Not specified for this item; refer to CoA/Spec Sheet.
• General practice for small-molecule ligands: Prepare concentrated stocks in anhydrous DMSO, vortex/sonicate briefly to dissolve, then dilute into assay buffer immediately before use. Filter if particulates remain after dilution (0.2 µm PTFE).

Stability

• Working solutions in aqueous buffers are typically least stable; prepare fresh as needed. Establish in-house stability (bench, 4°C, −20°C) by LC–MS or activity assays under your exact conditions.
• Always defer to the product’s CoA/SDS for definitive storage limits, shelf life, and compatibility.

Structure & Identity

• Product name: LY2109761 (SKU: L1495300)
• CAS: 700874-71-1
• PubChem CID: 11655119
• 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 structural notes (literature):

• LY2109761 is widely described in the literature as a small‑molecule kinase inhibitor targeting the TGF-β receptor family. Detailed atom connectivity, stereochemistry, and salt/solvate state may vary by supplier and lot; consult the item’s CoA for definitive identity parameters.
• Without supplier-confirmed structure strings, do not construct internal reference structures or analytical methods from third-party depictions. Use the Certificate of Analysis for definitive identity markers (e.g., 1H/13C NMR, HRMS).

Synthetic Utility

Not typically applicable. LY2109761 is supplied as a finalized small-molecule ligand for biological research rather than as a synthetic building block. If derivatization, tagging (e.g., biotinylation/fluorophore conjugation), or immobilization is desired for chemoproteomics or assay development, consult the primary literature for functional handles on this scaffold and develop route-specific protection/deprotection strategies. Item-specific functional group details and reactivity are not specified for this item; refer to the CoA/Spec Sheet and perform feasibility studies on small scale.

Target Specificity

Item-specific target, epitope, clone/isotype, or species reactivity information is not applicable and not provided for this small-molecule product. For literature-reported biochemical targets and selectivity profiles of LY2109761, consult primary publications and independent databases. For this catalog item, target specificity data are Not specified for this item; refer to CoA/Spec Sheet.