norendoxifen - Moligand™ , Inhibitor of CYP19A1;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β, CAS No.N612359, Inhibitor of CYP19A1;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β
norendoxifen - Moligand™ , Inhibitor of CYP19A1;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β, CAS No.N612359, Inhibitor of CYP19A1;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β
GRADE & PURITYMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors
Not available
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.
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Application Protocols
No tested or validated application protocols are provided in the Product Data for this item.
General guidance for use as a screening compound (non-item-specific):
Stock preparation: Dissolve in anhydrous DMSO to prepare a concentrated master stock (e.g., 10–50 mM). Sonication and gentle heating (≤40 °C) may aid dissolution. Filter only if required (0.22 μm PTFE) to remove particulates.
Serial dilution: Perform in DMSO or DMSO:buffer mixtures to maintain compound in solution; target final DMSO ≤0.1–0.5% v/v in biological assays as permitted by your system.
Plate handling: Use low-binding polypropylene plates/tubes and pre-wet tips with vehicle to minimize adsorption.
Controls: Include vehicle controls and, where appropriate, positive/negative reference controls for your target class. Validate linearity and absence of inner-filter effects if using fluorescence readouts due to the compound’s UV-absorbing chromophore.
These are generalized suggestions; optimize for your assay platform. For exact, validated protocols, consult your internal SOPs or the primary literature.
Biological Roles
General, literature-based context (non-item-specific; no clinical claims):
Norendoxifen is described in the literature as a metabolite within the triphenylethylene family related to tamoxifen biotransformation. Demethylation at the side-chain amine and phenolic hydroxylation yield scaffolds that interact with steroidogenic enzymes and estrogen receptors in research settings.
Functional groups relevant to biology:
Phenolic OH enables hydrogen bonding and can influence receptor binding orientation.
Primary amine provides protonation near physiological pH, impacting membrane permeation, target engagement, and transporter interactions.
ADME-relevant features (qualitative):
High aromatic content suggests strong plasma protein binding and potential for nonspecific partitioning; ionizable groups can aid aqueous compatibility in protonated form.
Conjugated chromophore facilitates UV quantitation in bioanalytical methods (LC–UV/LC–MS workflows).
Use as a tool compound:
Employed in enzymology and receptor pharmacology experiments to probe mechanisms in estrogen signaling and steroid biosynthesis research. Researchers should benchmark activity with standardized controls and verify lot identity/purity prior to quantitative studies.
Important note: Specific potency, selectivity, and target-binding parameters for this catalog item are not provided. For quantitative biological conclusions, consult primary literature and validate in-house under controlled assay conditions.
Buffer Applications
This product is not a buffering agent and is not used to control solution pH. However, buffer composition can significantly affect its solubility and apparent activity in assays.
Practical guidance (general):
pH: Slightly acidic buffers (e.g., pH 5.5–6.5) can improve solubility by protonating the amine; neutral pH (7.0–7.4) is most common for enzyme/cell assays, often requiring a small percentage of DMSO as cosolvent to avoid precipitation.
Common buffers: Phosphate (PBS), HEPES, or Tris are typical; confirm compatibility with your biological target and avoid high ionic strengths that may salt-out hydrophobic ligands.
Additives: Low levels of inert protein (e.g., 0.1% BSA) or surfactant (≤0.01% polysorbate) can reduce nonspecific binding; ensure these additives do not interfere with the assay readout.
Note: No item-specific buffer recipes or pKa values are provided. Optimize empirically for your assay conditions and maintain consistent vehicle controls.
Green Alternatives
As a research ligand, norendoxifen is not a process solvent or reagent where greener substitutions are conventional. Nonetheless, greener choices can be made for solution preparation and assay workflows.
Preferred solvent hierarchy (for stock/dilution):
DMSO: Widely accepted in screening; low volatility, good safety profile relative to many dipolar aprotics; compatible with microtiter workflows.
Ethanol (anhydrous): Potential alternative for some biochemical assays; higher volatility and narrower compatibility window in cells.
Water/buffer with minimal cosolvent: Use pH adjustment (slight acidification) to increase solubility when compatible with the biology, reducing organic content.
Sustainability practices:
Minimize DMSO waste by preparing concentrated master stocks and aliquoting to reduce freeze–thaw cycles and discard rates.
Use amber vials to reduce photodegradation, extending shelf life and lowering re-synthesis needs.
Choose reusable glassware where feasible to reduce plastic waste; when plastics are required, select low-binding polypropylene to prevent overdosing and repeats.
Trade-offs:
Reducing DMSO content can improve “green” metrics but risks precipitation and data variability. Validate minimal-cosolvent conditions for each assay.
Note: No process-scale “green substitution” is relevant here since the product is a screening compound intended for analytical/biological testing rather than bulk chemical transformations.
Pharmaceutical Uses
This material is supplied strictly for research use only and is not intended for human or animal therapeutic or diagnostic use.
Formulation and development research context (general):
Tool/benchmark compound: Used in discovery to characterize targets and pathways; may be included in screening decks, mechanistic studies, and physicochemical property assessment.
Preformulation exploration: Solubility profiling across pH and cosolvent systems; determination of intrinsic solubility, pKa, and stability to support structure–property relationship work.
Reference standard: Potentially used as an in-house reference for LC–MS method development or as a control article in nonclinical experiments, with appropriate qualification.
Regulatory status:
No pharmacopeial monograph or excipient listing is implied. No GMP suitability is claimed.
Item-specific notes:
Any statements on dosage forms, impurity limits, microbial limits, or residual solvents are not specified for this item and should not be inferred. Consult CoA/SDS for available quality information if using in regulated method development.
Physical Properties
Item-specific properties (as sold):
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Typical physicochemical characteristics (literature/general for norendoxifen-like triphenylethylenes; not item specifications):
State: Usually isolated as a solid; very lipophilic aromatic framework with one phenol and one primary amine.
Solubility: Expected to be soluble in polar aprotic organic solvents (e.g., DMSO, DMF, acetonitrile) and alcohols; sparingly soluble in water at neutral pH due to high hydrophobicity, with solubility increasing under acidic conditions (protonation of amine) and decreasing under basic conditions (deprotonation of phenol, protonation state–dependent).
Acid–base properties: Contains a primary aliphatic amine (typical pKa ~9–10, literature) and a phenolic OH (typical pKa ~10; literature). Net ionization will depend on medium pH and ionic strength.
Partitioning: Triphenylethylene cores exhibit high lipophilicity (high logP; literature), tempered by one phenol and one amine that enable limited aqueous compatibility when ionized.
UV–vis: Conjugated aromatic/ethylenic chromophore provides strong absorbance in the UV range (literature); useful for quantitative stock preparation by UV if an extinction coefficient is established for the exact form.
Important: No authoritative physical constants (bp, mp, density, refractive index) are specified for this catalog item. Consult the CoA/Spec Sheet for exact values if required for QA or method development.
Quality & Grades
Grade/Purity provided: Moligand™
What Moligand™ typically denotes (general description):
A screening-grade small-molecule quality suitable for discovery workflows such as target validation, primary/secondary assays, and SAR exploration. Such offerings are generally optimized for identity confirmation and suitability in DMSO stock solutions used in HTS or biochemical assays. Exact acceptance criteria (purity %, residual solvents, salt form, water content) are not specified here and should be verified on the CoA.
Implications for users:
Identity and form: Confirm the exact counterion/salt and isomeric composition (if applicable) on the CoA to ensure consistency in potency data.
Analytical control: For quantitative biology, verify purity by orthogonal methods (e.g., LC–UV at multiple wavelengths and LC–MS). Establish extinction coefficients or use weighed DMSO stocks with back-calculation by HPLC if needed.
Assay readiness: Moligand™ items are commonly used to prepare DMSO master stocks (e.g., 10–50 mM). Filter sterilization is typically unnecessary for biochemical assays but may be applied for cell-based work using 0.22 μm PTFE filters if sterile technique is required.
Item-specific statements:
Appearance, exact purity specification, residual solvent limits, and stabilizers: Not specified for this item; refer to CoA/Spec Sheet.
Pharmacopeial status: Not applicable; research-use screening compound.
Reaction & Applications
This compound is sold primarily as a screening ligand/tool molecule rather than as a synthetic reagent. Consequently, classical synthetic “reaction applications” (e.g., use as a base, reductant, or coupling partner) are not typical.
Discovery and assay applications (general for norendoxifen-like scaffolds; non-clinical):
Target engagement studies: Employed as a reference/test article in biochemical enzyme assays and receptor-binding screens related to steroidogenic pathways or nuclear receptor signaling. Establish concentration–response curves under standardized assay buffers.
Cellular pharmacology: Used in cell-based reporter assays where DMSO vehicle concentration is controlled (typically ≤0.1–0.5% v/v). Pre-dissolve at high concentration in DMSO and perform serial dilutions to minimize precipitation.
SAR benchmarking: Included in panels to compare activity of analog series sharing the triphenylethylene framework with phenol/amine handles that modulate polarity and binding.
Assay development tips:
Titrate pH and protein content (e.g., BSA) in buffers to mitigate nonspecific binding and improve apparent solubility.
Verify stability under assay conditions (light/air exposure) by pre- and post-assay LC–MS.
Use glass or low-binding plastics; pre-condition tips with assay buffer containing small amounts of surfactant (e.g., 0.01% Tween-20) if permitted by the assay to reduce adsorption artifacts.
Note: No manufacturer application notes are provided for this item; adapt protocols from your target-class SOPs.
Reaction Conditions
This product is not intended for use as a reagent or catalyst; therefore, no canonical “reaction conditions” apply to its use. For laboratories interested in derivatization or analog synthesis (general literature guidance):
O-derivatization of phenol: Conduct in dry polar aprotic solvents (e.g., DMF, acetone, or acetonitrile) with mild base (e.g., K2CO3, Cs2CO3) at ambient to 60 °C. Use alkyl halides or activated carbonates as electrophiles. Monitor for potential E/Z isomerization under prolonged heating.
Amide/sulfonamide formation from the primary amine: Employ standard coupling reagents (e.g., HATU/DIPEA, EDC/HOBt alternatives) in DMF or DCM at 0–25 °C. For sulfonylation, use sulfonyl chlorides with a base such as triethylamine at 0–25 °C.
N-alkylation: Reductive amination in alcohols or DMF with NaBH3CN or BH3·THF under inert atmosphere minimizes over-alkylation; alternatively, alkyl bromides/iodides with non-nucleophilic base in DMF.
Stability considerations: Protect from strong light; minimize exposure to strong acids/bases that can induce alkene isomerization or oxidative side reactions.
These conditions are general and literature-based, not specifications for this item. For any process development, confirm identity, purity, and isomeric state before and after transformation.
Safety & Handling
Authoritative safety information must be taken from the product’s SDS. The following is general guidance for triphenylethylene-derived research ligands.
Item-specific safety fields (from Product Data):
GHS Classification: Not specified for this item; refer to SDS.
Signal word: Not specified for this item; refer to SDS.
H-statements and pictograms: Not specified for this item; refer to SDS.
General laboratory handling (good practice):
PPE: Wear lab coat, nitrile gloves, and safety glasses; handle powders/solids in a fume hood to avoid dust inhalation. Use secondary containment for DMSO or organic solutions.
Avoid: Skin/eye contact, ingestion, and inhalation. Prevent aerosolization when weighing. Decontaminate surfaces after use.
Incompatibilities: Strong oxidizers may react with phenolic/aminic functionalities; strong acids/bases can alter ionization/solubility. Avoid prolonged exposure to light and air if photo/oxidation of the conjugated system is a concern (general for triphenylethylenes).
First aid (overview; consult SDS for details):
Skin/eyes: Rinse with water for ≥15 min; remove contaminated clothing; seek medical attention as needed.
Inhalation: Move to fresh air; monitor for symptoms; seek medical attention if irritation persists.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Waste: Collect solutions and solids as organic hazardous waste per institutional and local regulations.
Note: No medical or clinical use is intended; for research use only (as stated by the manufacturer).
Solvent Selection
Use-case driven recommendations for a lipophilic, phenol/amine-bearing research ligand.
Primary stock solvent: DMSO is preferred for high-concentration stocks due to strong solvating power for aromatic, moderately basic compounds. DMF or NMP can be alternatives, but DMSO remains most assay-compatible.
Aqueous vehicles: Limited intrinsic water solubility at neutral pH is expected. Solubility can improve in mildly acidic buffers (protonating the amine) or with cosolvents (≤0.5–1% DMSO v/v for sensitive assays). Avoid basic media if precipitation occurs from deprotonation of the phenol and reduced overall ionization.
Cosolvents: Methanol or ethanol can aid intermediate dilutions before final aqueous buffer addition; add organic solvent first, then buffer slowly with mixing to avoid precipitation.
Adsorption: Hydrophobic scaffolds may adsorb to plastics; use low-binding polypropylene or glass for accurate dosing, particularly at sub-μM concentrations.
Comparison (general considerations):
DMSO: Highest solubilizing power; generally tolerated up to 0.1–1% in many bioassays.
EtOH: Broad compatibility but lower solubility for highly lipophilic species; often limited to ≤0.1–0.5% in cell assays.
PEG-400: Useful for in vivo formulation research; viscous and can affect assay readouts—less common for HTS plates.
Note: No item-specific solubility data are provided; verify empirically for your assay matrix.
Storage & Reconstitution
Item-specific storage conditions:
Storage temperature (as provided): Room temperature.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
General best practices for research ligands (applicable guidance):
Light/air protection: Store in a tightly closed, light-resistant container to minimize photo- or oxidative degradation of the conjugated scaffold.
Long-term storage: Although room temperature is indicated, many users aliquot solids or DMSO stocks and keep at 2–8 °C (short term) or −20 °C (long term) to maximize stability. Avoid repeated freeze–thaw of solutions by preparing single-use aliquots.
Reconstitution for assays: Prepare a concentrated stock in anhydrous DMSO (e.g., 10–50 mM). Mix thoroughly and verify complete dissolution. Record exact concentration by weight-in/volume or by analytical quantitation (e.g., LC–UV) if required.
Handling solutions: Allow cold aliquots to equilibrate to room temperature before opening to prevent moisture ingress/condensation. Use dry syringes/pipette tips.
Stability: No item-specific stability, hygroscopicity, or photostability data are provided; confirm empirically under your storage conditions and refer to the CoA/SDS for any available stability notes.
Research use only: Not for human or veterinary use.
Structure & Identity
Brief overview: Norendoxifen is a small-molecule research ligand related to the triphenylethylene class (tamoxifen metabolites) used in discovery screening.
SKU: N612359
Product name: norendoxifen
Category: Small molecules and compound libraries (screening tool compound)
Item-specific identifiers (from Product Data):
CAS: N612359 (catalog identifier; a conventional CAS RN is not provided)
InChIKey: 433769 (as provided; full standard InChIKey not specified)
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 description (literature, non-item-specific):
Norendoxifen is commonly described as a demethylated, amino-ethoxy–substituted triphenylethylene bearing a phenolic hydroxyl group (a primary amine on the sidechain vs. tertiary dimethylamino in tamoxifen). The scaffold contains:
A substituted ethylene (E/Z isomerism possible in the triphenylethylene core)
A para-phenolic OH on one aryl ring (phenol functionality)
A 2-(primary amino)ethoxy substituent on another para position (aliphatic primary amine)
Three aryl rings conjugated to an ethylenic linker (highly lipophilic, conjugated system)
Notes:
The exact stereochemical/isomeric composition, salt form, and definitive identifiers for this specific item are not specified; consult the CoA/SDS for authoritative identity details.
Synthetic Utility
Norendoxifen is offered as a finished research ligand rather than a building block, and it is not commonly used as a reagent in synthetic transformations. However, from a synthetic chemistry perspective, the scaffold presents functional handles that can be leveraged in medicinal chemistry or derivatization work (general/literature context):
Phenolic OH: Amenable to O-alkylation, O-acylation, carbonate/carbamate formation, or prodrug-like masking. Phenoxide formation requires controlled base to avoid E/Z isomerization of the alkene.
Primary amine (side chain): Can be converted to amides, ureas, sulfonamides, or N-alkylated to modulate basicity and PK properties. Reductive amination or alkyl halide substitution strategies are typical.
Triphenylethylene alkene: Potential for E/Z isomer interconversion under strong acid/base, light, or metal-catalyzed conditions; usually maintained under mild conditions to preserve desired isomer ratio.
Aryl rings: Electrophilic aromatic substitution is generally deactivated at para positions already functionalized; cross-coupling would require prefunctionalized aryl halides prior to assembling the final scaffold.
Caveats:
The conjugated framework can be sensitive to strong oxidants and prolonged photolysis. Protect from light and avoid harsh conditions during derivatization.
Note: No specific synthetic route or intermediate specification is provided for this catalog item.
Target Specificity
Item-specific target data are not provided for this product.
No validated target, binding constants, or selectivity profile is supplied in the Product Data. Researchers should consult the primary literature for norendoxifen and generate in-house potency/selectivity data under their specific assay conditions.
If using as a tool compound, document source, lot number, and analytical confirmation (e.g., HPLC/LC–MS) alongside assay results to ensure traceability.
For authoritative target information related to your application, refer to peer-reviewed publications and validate experimentally.
Frequently Asked Questions
How should this product be stored?
Store at room temperature.
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.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is N612359. InChIKey YCQBLTPGQSYLHD-VHXPQNKSSA-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.
Need help choosing the grade?
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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