LR-90 - Moligand™,≥98% , CAS No.245075-84-7

CAS: 245075-84-7 Cat. No.: L646945 Formula: C35H34Cl2N4O8 Molecular Weight: 709.57 PubChem CID: 10212249
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
Synonyms
2,2'-(4,4'-(4,4'-Methylenebis(2-chloro-4,1-phenylene))bis(azanediyl)bis(oxoMethylene)bis(azanediyl)bis(4,1-phenylene))bis(oxy)bis(2-Methylpropanoic acid) | 2,2-[Methylenebis[(2-chloro-4,1-phenylene)iminocarbonylimino-4,1-phenyleneoxy]]bis[2-methylpropanoi
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Germany (EU)
USA*
Price
Qty
5mg
L646945-5mg
Made to order · 8–12 wks
€56.32
25mg
L646945-25mg
Made to order · 8–12 wks
€182.14
100mg
L646945-100mg
Made to order · 8–12 wks
€472.83
Enter a quantity for the sizes you want to add.

Overview

LR-90 is an advanced glycation end product (AGE) inhibitor, is also used in the research of diabetic animal model.

Specifications

Synonyms
2,2'-(4,4'-(4,4'-Methylenebis(2-chloro-4,1-phenylene))bis(azanediyl)bis(oxoMethylene)bis(azanediyl)bis(4,1-phenylene))bis(oxy)bis(2-Methylpropanoic acid) | 2,2-[Methylenebis[(2-chloro-4,1-phenylene)iminocarbonylimino-4,1-phenyleneoxy]]bis[2-methylpropanoi
Specifications & Purity
Moligand™,≥98%
Biochemical and Physiological Mechanisms
LR-90 is an advanced glycation end product (AGE) inhibitor, inhibits inflammatory responses in human monocytes. LR-90 is also used in the research of diabetic animal model.
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.
Grade
Moligand™
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Isomeric SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)CC3=CC(=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC(C)(C)C(=O)O)Cl)Cl
PubChem CID
10212249
Molecular Weight
709.57

Advanced Data

Certificates (CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
I2618589I2618589Certificate of AnalysisMay 06, 2026 L646945
I2618590I2618590Certificate of AnalysisMay 06, 2026 L646945
I2618591I2618591Certificate of AnalysisMay 06, 2026 L646945
Chemical and Physical Properties
SolubilityDMSO : ≥ 100 mg/mL (140.93 mM)
Molecular Weight709.600 g/mol
XLogP36.500
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass708.175 Da
Monoisotopic Mass708.175 Da
Topological Polar Surface Area175.000 Ų
Heavy Atom Count49
Formal Charge0
Complexity1060.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Application Protocols

No tested or recommended application protocols are provided in the Product Data for this item.

  • General RUO workflow (for small-molecule screening)
    • Prepare a 10–50 mM DMSO stock; vortex and sonicate as needed to fully dissolve.
    • Perform a solubility/stability pre-check by diluting into assay buffer at intended final concentration; inspect for precipitation over 1–2 hours.
    • Establish a dose–response curve (e.g., 10-point, half-log dilutions) with appropriate vehicle and positive/negative controls.
    • Include aggregation and redox interference controls where relevant (e.g., 0.01% Tween-20, catalase/HRP assays, counter-fluorophores).
    • Confirm activity with an orthogonal assay format.

For any protocol requiring structural knowledge (e.g., conjugation to beads or fluorophores), obtain the full structure and reactivity information from the CoA.

Biological Roles

No item-specific biological target or pathway information is provided in the Product Data for LR-90. The compound is offered as part of a small-molecule library for research use only.

  • Item-specific (from Product Data)

    • Intended use: research screening/ligand applications (Moligand grade); no claims on mechanism or targets.
  • General context for small-molecule ligands (not LR-90 specific)

    • Small molecules can act as enzyme inhibitors/activators, receptor ligands, protein–protein interaction modulators, or pathway probes in cellular systems.
    • When targets are unknown, unbiased approaches such as chemoproteomics, thermal proteome profiling, or genetic interaction mapping can help infer biological roles.
    • ADME properties (permeability, stability, efflux liability) strongly influence cellular readouts; consider running parallel permeability (e.g., PAMPA) and stability (microsomes, plasma) assays if biological studies are planned.
  • Practical recommendations

    • Acquire or request the structural information and CoA to assess potential liabilities (PAINS motifs, redox cycling, electrophiles).
    • Implement orthogonal assays and counterscreens (e.g., aggregation controls, redox interference assays) to verify specificity.

All uses are for laboratory research only; no clinical or diagnostic applications are intended or implied.

Buffer Applications

LR-90 is a discrete small-molecule ligand and is not a buffering agent. As such, buffer formulation details (pH ranges, capacity) are not applicable.

  • Guidance for assay buffers (general)
    • Select buffers based on your biological target (e.g., HEPES pH 7.4, phosphate pH 7.2, Tris pH 7.5–8.0). Maintain ionic strength and additives (e.g., 0.01–0.05% Tween-20, 0.1% BSA) suitable for your assay.
    • Control the final organic cosolvent (e.g., DMSO) below assay-specific thresholds to prevent protein denaturation or cell toxicity.

For details specific to LR-90’s stability vs pH or buffer components, consult the CoA/Spec Sheet or perform small-scale stability tests.

Green Alternatives

Because LR-90 is supplied as a screening ligand rather than a process solvent or bulk reagent, “green alternatives” primarily concern solvent and workflow choices during handling and assay preparation.

  • Solvent selection (general greener choices)

    • Prefer ethanol or water-cosolvent systems when chemically compatible and when adequate solubility is achievable.
    • If high-polarity aprotic solvents are needed, minimize DMSO volumes and consider propylene carbonate or Cyrene in appropriate analytical contexts (verify assay compatibility).
  • Waste minimization

    • Use microplate formats and low-volume dispensing to reduce solvent use and waste.
    • Consolidate and segregate halogenated vs non-halogenated organic waste streams.
  • Energy and storage

    • Store at −20°C as specified; avoid repeated freeze–thaw by aliquoting to reduce energy-intensive re-freezing cycles and prevent degradation.
  • Comparison snapshot (general guidance, not item-specific)

    • DMSO: excellent solvency, widely used; moderate environmental impact; high boiling point eases recovery but complicates cleanup.
    • Ethanol: renewable, low toxicity; limited solvency for some heteroaromatics.
    • Water with cosolvent: greenest carrier; risk of precipitation and stability issues.

Always validate greener substitutions with small-scale tests to ensure assay performance and compound integrity are maintained.

Pharmaceutical Uses

This product is supplied strictly for research use only. No pharmacopeial status or excipient role is provided in the Product Data.

  • Item-specific (from Product Data)

    • Research Use Note: For research use only.
  • General context (not LR-90 specific)

    • In early discovery, small molecules may be used as reference ligands or tool compounds in pre-formulation screening (e.g., solubility, stability) and to probe developability. Such activities remain non-clinical and are conducted under RUO conditions.
    • If moving toward regulated applications, comprehensive CMC data (identity, purity, impurities, stability, residual solvents, solid-state form) and GMP sourcing would be required; this LR-90 Moligand listing is not intended for that purpose.
  • Formulation considerations for RUO studies (general)

    • Prepare concentrated DMSO stocks and dilute into assay-appropriate vehicles. Evaluate pH-dependent solubility if acidic/basic functionalities are present (requires structural info from CoA).
    • Avoid claiming or implying therapeutic use; do not use in humans or animals for diagnostic or therapeutic purposes.
Physical Properties

The Product Data for LR-90 does not include physicochemical specifications. Do not treat literature values as specifications for your lot; use them only for preliminary planning.

  • Item-specific (from Product Data)

    • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Typical physicochemical parameters (literature/general notes — not item specifications)

    • Melting/boiling points, density, pKa, logP/logD, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
    • Solubility guidance (general for discovery ligands): Frequently soluble in high-dielectric, polar aprotic solvents (e.g., DMSO, DMF) at 10–50 mM stock levels; aqueous solubility may depend strongly on ionizable groups and salt form.
  • Practical tips (general)

    • Begin solubility screening with anhydrous DMSO at 10–20 mg/mL, then dilute into assay buffer with vigorous mixing to avoid precipitation.
    • If a salt form is provided (check label/CoA), pH-dependent solubility may differ from the free base/acid.
    • For analytical characterization (non-spec): confirmatory LC–MS, 1H/13C NMR, and HPLC purity should be obtained from the CoA for your lot.
Quality & Grades
  • Item-specific (from Product Data)

    • Grade: Moligand (Aladdin Moligand small-molecule screening grade)
  • What Moligand grade implies (general description)

    • Intended for discovery and screening: compounds supplied for biochemical, cellular, and target-validation studies under research-use-only terms.
    • Emphasis on identity and purity suitable for screening: lots typically accompanied by structure confirmation (e.g., LC–MS, NMR) and chromatographic purity data on the CoA. Specific acceptance criteria (purity %, residual solvents, water, metals) are not provided here and must be verified on your CoA/Spec Sheet.
    • Packaging tailored for screening workflows: usually small quantities, often in screw-cap vials suitable for preparing DMSO stocks.
  • Purity and specification details

    • Purity value, residual solvent content, water content (KF), and UV cutoffs: Not specified for this item; refer to CoA/Spec Sheet.
    • Stabilizers/additives: Not specified for this item; refer to CoA/Spec Sheet.
  • Practical guidance

    • Prior to SAR or HTS deployment, record lot number and retain a reference chromatogram. If your assays are UV-based, confirm background absorbance and fluorescence of the specific lot.
Reaction & Applications

This product is offered as a research ligand (Moligand grade) rather than as a synthetic reagent. Consequently, classical synthetic reaction use-cases (e.g., as a base, nucleophile, coupling partner) are not the primary intent.

  • Item-specific (from Product Data)

    • Manufacturer applications: Not specified beyond inclusion in a small-molecule/compound library; suitable for discovery screening and target validation under research-use-only terms.
  • Typical research applications for library ligands (general)

    • Biochemical and cellular screening: assess modulation of enzymatic activity, binding, or phenotypes in HTS or focused assays.
    • Target deconvolution workflows: use chemoproteomics, thermal shift assays (DSF/TS), CETSA, or affinity matrices if functional groups allow derivatization.
    • Structure–activity relationship (SAR): LR-90 can serve as a reference chemotype for analoging if structure is available from CoA.
  • Practical considerations

    • Verify identity and purity via CoA before screening; confirm absence of interfering impurities (e.g., reactive aldehydes, metals) for sensitive assays.
    • Evaluate redox activity and colloidal aggregation (e.g., with detergent control, DLS, or PAINS filters) to avoid false positives.
    • Use orthogonal readouts (biochemical vs cell-based) to confirm activity and rule out assay artifacts.

For use as a synthetic building block, consult structural information on the CoA to determine functional handles and compatibility.

Reaction Conditions

No synthetic reaction conditions are item-specific to LR-90 in this listing, as it is supplied for screening rather than as a reagent or coupling partner.

  • General guidance for handling in assays

    • Stock solutions: 10–50 mM in DMSO (general practice). Filter if particulate persists. Record exact concentration by weight-in or using quantitative NMR if high precision is needed.
    • Assay dilution: Add DMSO stocks last, with rapid mixing, targeting ≤0.5–1% final DMSO unless otherwise validated.
    • Stability checks: Assess thermal/photostability over the assay duration by LC–MS; protect from light if conjugated/aromatic chromophores are later confirmed.
  • If using LR-90 in synthetic transformations (not the primary intent)

    • Refer to the CoA for functional groups and literature precedent governing temperature, solvent, and catalyst choices.
    • Pilot reactions at small scale with analytical monitoring are recommended due to unknown reactivity profile.
Safety & Handling

Safety information specific to LR-90 is not included in the Product Data. Handle as a research chemical of unknown toxicity and consult the SDS for authoritative guidance.

  • Item-specific (from Product Data)

    • GHS classification, signal word, pictograms, H-statements: Not specified for this item; refer to SDS.
    • Storage: Store at −20°C (per Product Data). Shipments are supplied cold (ice chest + ice pads).
  • General laboratory precautions (not item-specific)

    • PPE: lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Use in a fume hood to avoid inhalation of dust/aerosols.
    • Avoid skin/eye contact and ingestion. Prevent dust formation and aerosolization.
    • Incompatibilities: Until specific data are available, avoid strong oxidizers and strong acids/bases. Do not heat to decomposition; unknown thermal hazards may exist.
  • First-aid overview (general)

    • Inhalation: Move to fresh air; seek medical attention if symptoms persist.
    • Skin/eyes: Rinse with water for at least 15 minutes; remove contaminated clothing; obtain medical attention if irritation continues.
    • Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.
  • Waste handling (general)

    • Collect as organic laboratory waste per institutional and local regulations. Do not dispose via drain.

Always consult the SDS supplied with the item for definitive hazard and response information.

Solvent Selection

With no item-specific solubility provided, start with robust, broadly compatible solvents used for screening stocks.

  • Primary stock preparation (general practice for Moligand-type compounds)

    • DMSO (anhydrous) is the default for 10–50 mM stocks; filter-sterilize through 0.22 μm if needed for cell-based assays.
    • If DMSO is unsuitable, try DMF or NMP; for less polar scaffolds, consider ethanol or isopropanol as intermediate cosolvents before aqueous dilution.
  • Aqueous use

    • Dilute DMSO stocks into buffer with vigorous mixing; keep final DMSO ≤0.5–1% v/v for enzyme assays and ≤0.1–0.5% v/v for sensitive cells (general guidance).
    • Employ surfactants (e.g., 0.01–0.05% Tween-20) only if assay-compatible to reduce aggregation or precipitation.
  • Solvent polarity context (general)

    • Polar aprotic: DMSO (ε ≈ 47), DMF (ε ≈ 37), NMP (ε ≈ 33) are common for diverse heterocycles and aromatic ligands (literature values, general).
    • Protic cosolvents: ethanol/isopropanol can assist during aqueous dilution but may affect biological readouts; validate controls.
  • Practical tips

    • Warm gently (25–37°C) and vortex/sonicate to aid dissolution; avoid prolonged heating.
    • Confirm solubility by visual inspection and, if critical, by nephelometry or HPLC.
    • For long assays, assess stability of LR-90 in the chosen vehicle by LC–MS time-course.
Storage & Reconstitution
  • Item-specific (from Product Data)

    • Storage conditions: Store at −20°C.
    • Shipping: Ice chest + ice pads.
  • Reconstitution (general guidance for small-molecule ligands)

    • Allow vial to equilibrate to room temperature in a desiccator before opening to prevent moisture condensation.
    • Prepare concentrated stocks in anhydrous DMSO (typical 10–50 mM); if aqueous stocks are required, confirm solubility and stability experimentally.
    • If sterility is required, filter through a 0.22 μm PTFE/nylon filter after dissolution.
  • Aliquoting and freeze–thaw

    • Aliquot stock solutions into single-use portions to avoid repeated freeze–thaw cycles that can accelerate degradation.
    • Store DMSO stocks at −20°C (or −80°C for long-term), protected from light if the compound is chromophoric; verify stability periodically by LC–MS/HPLC.
  • Shelf life and specifications

    • Expiry/retest period, water content, and stabilizers: Not specified for this item; refer to CoA/Spec Sheet.

Always reference the lot-specific CoA and SDS for definitive handling, stability, and safety information. Research use only.

Structure & Identity

Brief overview: LR-90 (SKU L646945) is listed in our Moligand small-molecule library. Specific structural identifiers are not provided in the Product Data for this catalog entry.

  • Item-specific (from Product Data)

    • Product name: LR-90
    • CAS: 245075-84-7
    • Grade: Moligand
    • 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.
  • Structural features (general guidance)

    • Functional-group and ring-system details are not disclosed in the Product Data. For structure-based work (e.g., docking, QSAR), please request the CoA/Spec Sheet or consult the referenced CAS entry.
  • 2D structure description (general)

    • Without a provided SMILES/InChI, a textual 2D description cannot be confirmed for this catalog lot. When available, we describe core scaffold, heteroatoms, ring topology, and any stereocenters; please see the certificate package for definitive identity data.
Synthetic Utility

LR-90 is offered as a research ligand rather than a building block, and the Product Data does not disclose functional groups. Therefore, synthetic applications cannot be defined without the structure provided on the CoA.

  • Item-specific limitation

    • Functional handles, protecting-group strategies, and cross-coupling suitability are unknown from the current listing; consult the CoA/Spec Sheet for structure and purity.
  • General notes (if structural data become available)

    • Identify key functional groups (e.g., aryl halides for Suzuki/Negishi, amines for amide coupling, alcohols for esterification/etherification) and assess orthogonality to plan derivatization for SAR.
    • For probe development, consider biotin/fluorophore installation through minimal-linker sites predicted not to abrogate activity (guided by docking/SAR).
    • Confirm stability under common reaction conditions (base/acid, oxidative conditions) before late-stage functionalization.
  • Analytical support

    • Use LC–MS and NMR to track reaction progress and confirm product identity if derivatizations are attempted for probe synthesis.
Target Specificity

Target and selectivity information are not provided for this product.

  • Item-specific (from Product Data)

    • Target/epitope/clone/isotype data: Not applicable; LR-90 is a small molecule, not an antibody or biologic.
  • Guidance (general)

    • If biological targets are to be identified, consider CETSA/TPP, affinity capture with immobilized analogs, photoaffinity labeling (if structure permits), or computational docking as hypothesis generators.
    • Always verify hits across orthogonal assays and evaluate counterscreens to exclude assay interference.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

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