GDC-0927 - ≥99% , CAS No.1642297-01-5

CAS: 1642297-01-5 Cat. No.: G648896 Formula: C28H28FNO4 Peso molecolare: 461.5 PubChem CID: 87055263
Disponibile su ordine
GRADE & PURITY ≥99%
Synonyms
GDC-0927 free base | HY-111484 | BG166429 | BS-16112 | SCHEMBL16325181 | US10227334, Example 3 | BCP29507 | Q50825069 | GDC 0927 | NSC-812902 | GDC0927 | GDC-0927 | 1642297-01-5 (free base) | 1-PIPERIDINEETHANOL, 4-HYDROXY-.ALPHA.-(4-HYDROXYPHENYL)-.BETA.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
Germania (EU)
USA*
Price
Qty
5mg
G648896-5mg
Su ordinazione · 8–12 settimane

84,95€

127,47€
Salva 42,52 € (33.36%)
10mg
G648896-10mg
Su ordinazione · 8–12 settimane

153,50€

230,73€
Salva 77,23 € (33.47%)
25mg
G648896-25mg
Su ordinazione · 8–12 settimane

333,99€

501,47€
Salva 167,47 € (33.40%)
50mg
G648896-50mg
Su ordinazione · 8–12 settimane

601,26€

902,36€
Salva 301,11 € (33.37%)
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Panoramica

GDC-0927 (SRN-927) is a potent, non-steroidal, orally bioavailable, selective estrogen receptor antagonist

In Vivo

GDC-0927 is a novel, potent, non-steroidal, orally bioavailable, selective ER antagonist/ER degrader (SERD) that induces tumor regression in estrogen receptor (ER)+breast cancer (BC) patient-derived xenograft models . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Estrogen receptor

Specifications

Sinonimi
GDC-0927 free base | HY-111484 | BG166429 | BS-16112 | SCHEMBL16325181 | US10227334, Example 3 | BCP29507 | Q50825069 | GDC 0927 | NSC-812902 | GDC0927 | GDC-0927 | 1642297-01-5 (free base) | 1-PIPERIDINEETHANOL, 4-HYDROXY-.ALPHA.-(4-HYDROXYPHENYL)-.BETA.
Specifiche e purezza
≥99%
Meccanismi biochimici e fisiologici
GDC-0927 (SRN-927) is a potent, non-steroidal, orally bioavailable, selective estrogen receptor antagonist.
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.
Tipo di azione
ANTAGONIST
Purezza
≥99%
Nomi e identificatori
Sorrisi canoniciCC1=C(C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CC(C4)CF)C5=CC(=CC=C5)O
IUPAC Name(2S)-2-[4-[2-[3-(fluoromethyl)azetidin-1-yl]ethoxy]phenyl]-3-(3-hydroxyphenyl)-4-methyl-2H-chromen-6-ol
InChIKeyKJAAPZIFCQQQKX-NDEPHWFRSA-N
INCHI1S/C28H28FNO4/c1-18-25-14-23(32)7-10-26(25)34-28(27(18)21-3-2-4-22(31)13-21)20-5-8-24(9-6-20)33-12-11-30-16-19(15-29)17-30/h2-10,13-14,19,28,31-32H,11-12,15-17H2,1H3/t28-/m0/s1
Isomeri SMILES CC1=C([C@@H](OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CC(C4)CF)C5=CC(=CC=C5)O
CAS alternativo 2100830-77-9
PubChem CID 87055263
Peso molecolare 461.5

Documentazione

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassPhenylpropanoids and polyketides
ClasseFlavonoids
SubclassHydroxyflavonoids
Intermediate Tree Nodes Not available
Direct Parent6-hydroxyflavonoids
Alternative Parents Hydroxyisoflavonoids  Isoflav-3-enes  Flav-3-enes  Stilbenes  1-benzopyrans  Phenoxy compounds  Phenol ethers  1-hydroxy-2-unsubstituted benzenoids  1-hydroxy-4-unsubstituted benzenoids  Alkyl aryl ethers  Trialkylamines  Azetidines  Oxacyclic compounds  Azacyclic compounds  Hydrocarbon derivatives  Organofluorides  Alkyl fluorides  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 6-hydroxyflavonoid - Hydroxyisoflavonoid - Isoflavonoid - Flav-3-ene - Isoflav-3-ene skeleton - Isoflavonoid skeleton - Stilbene - 1-benzopyran - Benzopyran - Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azetidine - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as 6-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-6 position of the flavonoid skeleton.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
ESR1 Tclin Estrogen receptor (6 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
SLC6A3 Tclin Sodium-dependent dopamine transporter (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PGR Tclin Progesterone receptor (8562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C2 Tclin Mineralocorticoid receptor (2134 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Obiettivi associati (non umani)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Proprietà chimiche e fisiche
SolubilitàDMSO : 83.33 mg/mL (180.56 mM; Need ultrasonic)
Peso molecolare461.500 g/mol
XLogP34.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass461.2 Da
Monoisotopic Mass461.2 Da
Topological Polar Surface Area62.200 Ų
Heavy Atom Count34
Formal Charge0
Complexity703.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calcolatori di soluzioni
Recensioni

Recensioni dei clienti

Application Protocols

No tested application protocols are provided for this SKU. The following general workflow is commonly used for small-molecule research compounds in biochemical or cell-based assays.

General small-molecule handling protocol (research use only)

  • Prepare a stock solution in dry DMSO at a convenient concentration (e.g., 10–50 mM). Record exact concentration from mass and volume.
  • Store aliquots at −20 °C, protected from light and moisture. Avoid repeated freeze–thaw; use single-use aliquots when possible.
  • For assays, dilute stock into pre-warmed buffer or medium to the desired final concentration while controlling final DMSO%.
  • Include a vehicle control (matching DMSO%) and, when available, a positive control compound of known activity.
  • Incubate for the validated time period for your assay and proceed with the chosen readout (e.g., luminescence, fluorescence, Western blot, LC–MS quantitation).

Documentation

  • Record compound lot, solvent lot, dilution scheme, plate map, and environmental conditions to ensure reproducibility.

Note: For any application-specific parameters (WB, IF, IHC, FC, enzymology), consult your internal SOPs; none are specified for this item.

Biological Roles

Item-specific biological target and mode-of-action data are not provided in this listing. The notes below outline general considerations for small-molecule research tools in cell and molecular biology.

  • Small molecules can serve as chemical probes to modulate protein function, enabling hypothesis testing about pathway roles (e.g., transcriptional regulation, signal transduction, protein stability) under controlled conditions.
  • When deploying a probe, pair it with orthogonal readouts (e.g., target engagement by CETSA/thermal shift, downstream reporter assays, and proteomics) to establish on-target effects.
  • Include structurally unrelated comparators with similar nominal activity to control for scaffold-specific artifacts.
  • Consider permeability and efflux: confirm intracellular exposure using surrogate markers (e.g., LC–MS quantitation) when effects are modest or delayed.
  • Assess time-dependence (acute vs chronic dosing), reversibility (washout experiments), and protein resynthesis effects for targets with slow turnover.
  • Evaluate assay interference risks (fluorescence quenching, redox cycling, aggregation) using dedicated counter-screens, especially in high-throughput contexts.

Important: No pharmacological or clinical claims are made for this product. All uses are strictly for research/laboratory investigations. Users should consult primary literature to understand any putative targets reported for similarly named compounds and validate in their own systems.

Buffer Applications

This product is not a buffer reagent. However, when used in biochemical or cell-based assays, appropriate buffer systems are essential for reproducible results.

General recommendations (not item-specific)

  • Prepare a concentrated DMSO stock and dilute into assay buffer such that final DMSO ≤0.1–0.5% v/v (or per your assay’s validated tolerance).
  • Common buffers: PBS (pH 7.2–7.4), HBSS, or HEPES-buffered saline. For enzyme assays, use target-appropriate buffers (e.g., Tris, HEPES, MOPS) with defined pH and ionic strength.
  • Additives: 0.01–0.1% BSA or 0.01–0.05% Tween-20 can mitigate nonspecific binding and adsorption to plastic; verify no effect on readout.
  • Avoid precipitation upon dilution by pre-mixing compound stock with a small volume of buffer containing carrier protein before final dilution.
  • For pH-sensitive analyses, maintain CO2-independent buffers (e.g., HEPES) for long bench-top incubations outside incubators.

Documentation

  • Record buffer composition, pH (±0.05), temperature, and DMSO percentage for each run to support reproducibility and data comparability.
Green Alternatives

Green chemistry considerations are limited for a finished bioactive compound, as it is not primarily used as a solvent or reagent. Nevertheless, you can reduce environmental impact in handling and assays.

  • Prefer DMSO over halogenated or high-toxicity organic solvents for stock solutions, and keep final assay solvent content minimal.
  • Employ miniaturized assay formats (e.g., 384- or 1536-well plates) to reduce solvent and compound consumption.
  • Use aqueous buffers and cyclodextrin carriers where compatible to minimize organic co-solvents.
  • Consolidate shipments and maintain cold-chain efficiency to reduce packaging waste and dry ice/ice pack usage.

Comparison (general; not item-specific)

  • Halogenated solvents (e.g., dichloromethane) vs DMSO: DMSO offers lower environmental and health hazard profiles in typical assay concentrations; avoid chlorinated solvents for dissolution when possible.
  • Ethanol vs DMF: Ethanol is generally greener but may be less effective for very hydrophobic compounds; validate on a small scale.

End-of-life

  • Segregate waste streams to enable optimal treatment: non-halogenated organic vs aqueous with DMSO.
  • Explore solvent recycling programs for large screening campaigns.

These measures address process sustainability without altering the compound’s chemical identity.

Pharmaceutical Uses

No therapeutic or clinical claims are made for this catalog item. The compound is offered strictly for research use.

Non-clinical, formulation-adjacent uses (general; not item-specific)

  • May be qualified as a research reference standard for analytical method development (e.g., LC–MS/MS) in discovery settings after appropriate in-house characterization.
  • Can support pre-formulation research such as solubility screening (shake-flask, kinetic solubility), pKa determination, and excipient compatibility on a research scale.
  • Useful in stability-indicating method development by subjecting solutions to heat, light, oxidative, and pH stress to map likely degradation pathways (for research only).

Regulatory note

  • No pharmacopeial monograph or compendial status is provided for this item. Any use in regulated workflows requires independent qualification and documentation of purity, identity, and stability.

Handling for formulation experiments

  • Use high-quality solvents (e.g., anhydrous DMSO) and low-bind consumables. Track lot numbers, storage time, and freeze–thaw cycles to interpret assay variance.
Physical Properties

Only limited item-specific physical data are provided with this listing. Do not assume values not stated here.

Item-specific specs

  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
  • Solubility (item-specific): Not specified for this item; refer to CoA/Spec Sheet.
  • Melting point / Boiling point / Density / Refractive index / pKa / logP: Not specified for this item; refer to CoA/Spec Sheet.

General/literature guidance for screening compounds (not item-specific)

  • Many drug-like small molecules are provided as off-white solids or films and are commonly prepared as DMSO stock solutions (e.g., 10–50 mM) for biological assays.
  • Typical working diluent systems include DMSO→aqueous buffer (final DMSO often ≤0.1–0.5% v/v in assays) to balance solubility with biological compatibility.
  • For sparingly soluble compounds, co-solvents such as DMF, ethanol, or minimal Tween-80 may be used in research settings; always verify compatibility with your assay.

Practical notes

  • If the compound is supplied neat, assess solubility empirically by incremental addition of dry DMSO with mild warming (≤40 °C) and sonication.
  • Record solution concentration by mass and volumetric addition, and verify with UV-Vis (if chromophore present) or quantitative NMR when required.
Quality and Grades

Item-specific quality

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

What grade typically implies (general guidance for screening library compounds)

  • Screening/HTS-grade materials are commonly qualified by HPLC or UPLC purity (e.g., area % at multiple wavelengths) and LC–MS identity. Some programs also verify NMR and HRMS.
  • If your application requires low background in optical assays, request or verify UV absorbance profile and any residual solvent data.

Documentation and release testing

  • For this SKU, rely on the Certificate of Analysis (CoA) or specification sheet for the exact acceptance criteria: assay/purity method, residual solvent limits, and identification tests.
  • If the compound is used as a reference standard in analytical methods, consider in-house qualification: verify purity by orthogonal techniques and establish a reference value with uncertainty.

Stabilizers and formulation

  • Any stabilizer, salt form, or solvate content will affect handling and assay setup. None are specified here; confirm on receipt.

Change control

  • For regulated workflows, archive the lot-specific CoA, and document any retesting (e.g., re-purification, dryness checks) performed in your lab.
Reaction and Applications

This product is supplied as a bioactive small-molecule research compound rather than a synthetic reagent. As such, classical synthetic reaction use (e.g., as a catalyst, reagent, or monomer) is not typically applicable.

Practical research applications (general, non-clinical)

  • Use as a reference compound in target-engagement assays, binding studies, or phenotypic screens where its activity profile is relevant to your research questions.
  • Generate dose–response curves across cellular or biochemical assay panels; maintain consistent DMSO % and pre-incubation times to enable cross-study comparison.
  • Apply in mechanistic studies (e.g., washout kinetics, time-dependent effects) with appropriate negative controls and, when available, structurally distinct comparators.

Assay design notes

  • Ensure the dynamic range of the readout (e.g., reporter gene, phosphorylation state, thermal shift) is compatible with anticipated potency; avoid saturation.
  • For cell-based work, pre-validate cytotoxicity windows (e.g., CellTiter-Glo, resazurin) to separate on-target effects from general toxicity.

Analytical applications

  • Employ as a system suitability spike for method development in LC–MS bioanalysis or as a retention-time marker in discovery workflows, after in-house qualification.

Reminder: No item-specific activity, potency, or selectivity data are provided with this listing; consult primary literature and validate in your system.

Reaction Conditions

Classical synthetic reaction conditions are not applicable to this catalog item because it is supplied as a finished bioactive compound rather than a reagent.

If performing ancillary studies (general guidance)

  • For solution stability assessments, test aliquots in DMSO, acetonitrile, and relevant aqueous buffers across temperatures (4 °C, ambient, 37 °C) and pH values to map degradation profiles.
  • For conjugation or assay-tagging (structure-dependent), choose mild conditions that preserve the parent scaffold; avoid strong acids/bases or high temperatures until stability is known.
  • For analytical method development, typical LC conditions include C18 reversed phase, water/ACN or water/MeOH with 0.1% formic acid; adjust gradients to achieve baseline resolution from impurities.

Note: No item-specific reaction parameters, catalysts, or yields are provided.

Safety and Handling

Hazard classification

  • Signal Word / H-Statements / GHS Classification / Pictograms: Not specified for this item; refer to the product SDS for authoritative safety information.

General laboratory precautions (for small-molecule research compounds)

  • Handle in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and nitrile gloves. Avoid inhalation of dust and contact with skin/eyes.
  • Prevent contamination of stocks and minimize exposure by using dedicated, labeled DMSO stock vials with septum caps when possible.

Incompatibilities and stability

  • Avoid contact with strong oxidizers or strong acids/bases unless stability is known. Protect from light and moisture until stability is established.
  • If supplied in solution, review the CoA/SDS for any stabilizers or special precautions.

First-aid overview (general; defer to SDS)

  • Skin/eye contact: Rinse with water for ≥15 minutes; remove contaminated clothing; seek medical evaluation.
  • Inhalation: Move to fresh air; seek medical attention if symptoms persist.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Waste disposal

  • Dispose of unused material, solutions, and contaminated consumables as organic chemical waste per institutional and local regulations.

Note: Always consult the SDS for this specific SKU before use.

Solvent Selection

Compound-specific solubility is not provided. The following are general best practices for dissolving drug-like small molecules for research assays.

  • Primary stock solvent: DMSO is typically preferred for hydrophobic discovery compounds due to broad solvency and assay compatibility at low final %.
  • Secondary options: DMF or ethanol can assist dissolution for certain scaffolds; evaluate assay tolerance and evaporation risk.
  • Aqueous workup: Prepare a concentrated DMSO stock (e.g., 10–50 mM), then dilute into assay buffer to a final DMSO ≤0.1–0.5% v/v, unless your system tolerates more.
  • Buffers: Use PBS, HBSS, or HEPES-buffered saline with carrier protein (e.g., 0.1% BSA) when nonspecific binding is a concern.

Quick comparison (general; not item-specific)

  • DMSO: highest solvency, low volatility; can affect cell membranes at >0.5–1%.
  • Ethanol: volatile, antimicrobial; often tolerated up to ~0.1–0.5% in cells, but may perturb lipid signaling.
  • Aqueous with cyclodextrin: can enhance apparent solubility; verify no interference with readout.

Tips

  • Warm (≤40 °C) and sonicate to aid dissolution; avoid prolonged heating.
  • Filter sterile stocks (0.22 µm PTFE) if using in cell-based assays and if the compound is stable to filtration.
  • Document solvent lot and water content if reproducibility is critical.
Storage and Reconstitution

Item-specific conditions

  • Storage Conditions (as provided): Store at −20 °C.
  • Shipped In: Ice chest + ice pads (maintain cold chain on receipt).

Additional guidance (general; not item-specific)

  • Upon receipt, place the material at −20 °C or colder. If hygroscopic or light-sensitive, keep in a desiccated, light-protected container.
  • If supplied as a solid: Allow to equilibrate to room temperature in a sealed container before opening to prevent moisture condensation.
  • Reconstitution: Prepare a concentrated DMSO stock (e.g., 10–50 mM) using anhydrous solvent. Mix by gentle vortexing and brief sonication; avoid prolonged heating.
  • Aliquot stocks into single-use vials to minimize freeze–thaw. Label with concentration, solvent, date, and lot number.
  • Working solutions in aqueous buffers are generally less stable; prepare fresh just before use and keep on ice during setup when compatible.

Stability monitoring

  • Track appearance (color, precipitate), HPLC purity, and LC–MS over time for critical studies. Discard if significant degradation or precipitation is observed.

Note: For definitive stability and reconstitution parameters, consult the lot-specific CoA/Spec Sheet and SDS.

Structure and Identity

Brief overview for a bioactive small-molecule research compound supplied as part of a screening collection.

  • Product Name: GDC-0927 (catalog reference name)
  • CAS: 1642297-01-5
  • PubChem CID: 87055263
  • InChIKey: 181294 (as provided)
  • 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

  • Item-specific structural features (ring systems, heteroatoms, stereocenters, functional groups): Not specified for this item; refer to CoA/Spec Sheet.
  • 2D structure summary in words: Not available because atom connectivity (SMILES/InChI) is not provided in this listing.

Identity assurance

  • Use the CAS and CID above to cross-reference external databases for orthogonal identity checks (literature values only; not a substitute for CoA).
  • For experimental work, confirm identity/purity by HPLC/UPLC-UV, HRMS, and, where feasible, 1H/13C NMR prior to critical assays.
Synthetic Utility

This product is supplied as a finished bioactive small molecule, not a building block or reagent. It is therefore not typically used as a substrate or intermediate in routine organic synthesis.

General considerations if derivatization is desired (research-only)

  • Without a disclosed structure (functional groups not specified for this item), no specific transformation guidance can be provided. Obtain the structure from the CoA/Spec Sheet or literature before planning any modifications.
  • If used to generate probe derivatives (e.g., biotinylated or fluorescent conjugates), design linkers to avoid perturbing putative pharmacophores; confirm activity is retained using matched assays.
  • For SAR exploration, employ late-stage functionalization strategies (e.g., C–H activation, mild coupling conditions) once reactive handles are identified from the structure.

Analytical support

  • Validate any derivatives by LC–MS, HRMS, and NMR; establish purity thresholds fit for purpose (e.g., ≥95% by HPLC for biological testing, as general practice; not item-specific).
Target Specificity

Item-specific target, selectivity, and binding data are not provided for this SKU.

  • Target/Pathway: Not specified for this item; refer to CoA/Spec Sheet.
  • Species reactivity or cell-line context: Not specified for this item; refer to CoA/Spec Sheet.
  • Assay-confirmed potency/selectivity values (Ki, IC50, EC50, Kd): Not specified for this item; refer to CoA/Spec Sheet.

Users should establish target engagement and selectivity in their own systems with appropriate controls and orthogonal assays. Only product data can define target specificity in this section; consult the supplied documents upon receipt.

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