ZK 216348 - ≥98% , CAS No.669073-68-1

CAS: 669073-68-1 Cat. No.: Z651002 Fórmula: C24H23F3N2O5 Peso molecular: 476.45 PubChem CID: 9805004
Disponível para encomenda
GRADE & PURITY ≥98%
Synonyms
(-)-ZK 216348 | GTPL8643 | HY-123352A | (+)-Zk 216348 | ZK 216348, (+)- | 4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-1H-benzo[d][1,2]oxazin-6-yl)-2-(trifluoromethyl)pentanamide | E99033 | (+)-4-(2,3-dihydrobenzofuran-7-yl)-2-hydro
Storage
Store at 2-8°C,Protected from light,Desiccated
Shipped In
Wet ice
★
Size
Alemanha (EU)
USA*
Price
Qty
5mg
Z651002-5mg
Sob encomenda · 8–12 semanas
608,20€
10mg
Z651002-10mg
Sob encomenda · 8–12 semanas
972,65€
25mg
Z651002-25mg
Sob encomenda · 8–12 semanas
1944,52€
Enter a quantity for the sizes you want to add.
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Desiccated Ships Wet ice 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.

Visão geral

ZK 216348 ((+)-ZK 216348) is a nonsteroidal selective glucocorticoid receptor agonist with an IC 50 of 20.3 nM. ZK 216348 also binds to Progesterone and mineralocorticoid receptors with IC 50 s of 20.4 nM and 79.9 nM, respectively. ZK 216348 has antiinflammatory activity similar to Prednisolone and induces less transactivation-mediated side effects

In Vitro

In human peripheral blood mononuclear cells (PBMCs), ZK 216348 inhibits TNF-α and IL-12 with IC 50 of 89 nM and 52 nM, respectively. Participation of an active GR in the antiinflammatory response of ZK 216348 is further investigated in Caco-2 cells, where the TNF-α-induced expression of the proinflammatory cytokine IL-8 is suppressed in the presence of ZK 216348. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

ZK 216348 (1-30  mg/kg; subcutaneous injection; for 24 hours; NMRI mice and Wistar rats) treatment inhibits ear edema in both mice and rats. A markedly superior side-effect profile is found in ZK 216348 with regard to increases in blood glucose, spleen involution, and, to a lesser extent, skin atrophy . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: NMRI mice (26-28 g) and Wistar rats (140-160 g) injection with Croton oil Dosage: 1 mg/kg, 3 mg/kg, 10 mg/kg and 30  mg/kg Administration: Subcutaneous injection; for 24 hours Result: Inhibited ear edema in mice and rats.

Form:Solid

IC50& Target:IC50: 20.3 nM (Glucocorticoid recepto), 20.4 nM (Progesterone receptor ) and 79.9 nM (mineralocorticoid receptor)

Specifications

Sinónimos
(-)-ZK 216348 | GTPL8643 | HY-123352A | (+)-Zk 216348 | ZK 216348, (+)- | 4-(2,3-dihydrobenzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-1H-benzo[d][1,2]oxazin-6-yl)-2-(trifluoromethyl)pentanamide | E99033 | (+)-4-(2,3-dihydrobenzofuran-7-yl)-2-hydro
Especificações e pureza
≥98%
Mecanismos bioquímicos e fisiológicos
ZK 216348 ((+)-ZK 216348) is a nonsteroidal selective glucocorticoid receptor agonist with an IC 50 of 20.3 nM. ZK 216348 also binds to Progesterone and mineralocorticoid receptors with IC 50 s of 20.4 nM and 79.9 nM, respectively. ZK 216348 has antiinfla
Condições de armazenamento de armazenamento
Store at 2-8°C,Protected from light,Desiccated
Enviado em
Wet ice
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Pureza
≥98%
Nomes e identificadores
Sorrisos canónicos
CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=CC=CC4=C3OCC4)(C(F)(F)F)O
IUPAC Name
4-(2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(trifluoromethyl)pentanamide
InChIKey
VRZVKIJRJRBQJT-UHFFFAOYSA-N
INCHI
1S/C24H23F3N2O5/c1-13-17-11-15(7-8-16(17)20(30)34-29-13)28-21(31)23(32,24(25,26)27)12-22(2,3)18-6-4-5-14-9-10-33-19(14)18/h4-8,11,32H,9-10,12H2,1-3H3,(H,28,31)
SMILES isoméricas
CC1=NOC(=O)C2=C1C=C(C=C2)NC(=O)C(CC(C)(C)C3=CC=CC4=C3OCC4)(C(F)(F)F)O
CAS alternativo
669073-68-1
PubChem CID
9805004
Termos de entrada MeSH
ZK 209614;ZK 216347;ZK 216348;ZK-209614;ZK-216347;ZK-216348;ZK209614;ZK216347;ZK216348
Peso molecular
476.45

Documentation

📋 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
SuperclassOrganoheterocyclic compounds
ClasseBenzoxazines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzoxazines
Alternative Parents Coumarans  N-arylamides  Alkyl aryl ethers  Benzenoids  Fatty amides  Tertiary alcohols  Heteroaromatic compounds  Secondary carboxylic acid amides  Fluorohydrins  Oxacyclic compounds  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Alkyl fluorides  Organofluorides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzoxazine - Coumaran - N-arylamide - Alkyl aryl ether - Fatty amide - Fatty acyl - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxamide group - Fluorohydrin - Halohydrin - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
NR3C1 Tclin Glucocorticoid receptor (5 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PGR Tclin Progesterone receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
NR3C2 Tclin Mineralocorticoid receptor (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
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
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HFF (3142 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
SolubilidadeDMSO : 200 mg/mL (419.77 mM; Need ultrasonic)
Peso molecular476.400 g/mol
XLogP34.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass476.156 Da
Monoisotopic Mass476.156 Da
Topological Polar Surface Area97.200 Ų
Heavy Atom Count34
Formal Charge0
Complexity845.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

Application Protocols

Item-specific (from Product Data)

  • No tested applications or recommended conditions are provided.

General research protocols for small molecules (not item-specific)

  • Stock preparation: Dissolve in anhydrous DMSO to a convenient concentration (e.g., 10 mM). Vortex and, if necessary, sonicate briefly. Filter through a 0.22 µm PTFE membrane if particulates persist and the compound is stable.
  • Working solutions: Dilute stocks into assay buffer or medium to the desired final concentration, ensuring the final organic cosolvent content remains within acceptable limits for your system (commonly ≤0.5–1% DMSO for cells).
  • Controls: Include vehicle-only controls and, where applicable, a known reference compound. Perform at least an 8-point dilution series (1:3 or 1:2) for potency curves.
  • Stability checks: Reassess concentration by LC–UV or LC–MS after storage and after at least one freeze–thaw cycle. Protect from light during all steps, consistent with storage requirements.
  • Documentation: Record lot number, preparation date, solvent, and confirmed concentration. Attach chromatograms to notebook entries for traceability.
Biological Roles

Item-specific (from Product Data)

  • No biological target, pathway, or mechanism is provided for ZK 216348.

Guidance and limitations

  • Without a verified structure or annotated target, no assertions about biological roles, potency, selectivity, or mode of action can be made for this listing. Avoid extrapolating from similarly named compounds unless you have primary references tied to CAS 669073-68-1 and the same lot.

General considerations for small-molecule research compounds (general knowledge)

  • If used as a putative probe, confirm identity and purity, then independently replicate any reported activity using orthogonal assays (e.g., biochemical vs. cellular readouts) and counter-screens for off-target effects.
  • Assess compound stability under assay conditions (pH, temperature, light). Photolabile compounds can degrade to active or inactive species, complicating interpretation.
  • Evaluate nonspecific effects: aggregation, redox cycling, PAINS substructures, and fluorescence interference can confound screening results. Employ detergent controls, dynamic light scattering, and redox/fluorescence interference panels as appropriate.
  • Record and report the exact batch number, concentration verification (by UV with extinction coefficient or qNMR), and vehicle composition to ensure reproducibility.
Buffer Applications

Applicability assessment

  • ZK 216348 is a discrete small molecule, not a buffering agent. It does not define a conjugate acid/base pair or a pKa window for buffering in aqueous systems (pKa not provided). Therefore, buffer preparation guidance is generally not applicable.

Practical notes (general knowledge)

  • If the compound must be delivered in aqueous media for biological assays, use an appropriate research buffer (e.g., PBS, HEPES, or Tris) suited to your biological system, and add the compound from a concentrated organic stock (commonly DMSO) while staying within acceptable cosolvent limits.
  • Pre-clear buffers by filtration (0.22 µm) and confirm compound stability at the working pH prior to extended incubations.
  • Avoid strong acids or bases unless the compound’s ionization and stability profile are known; uncontrolled pH shifts can cause hydrolysis or precipitation.
Green Alternatives

Context

  • The product is a small-molecule research compound rather than a reaction solvent or bulk reagent. “Green alternatives” are therefore most applicable to the solvents and formulation choices used to handle the compound, not to the compound itself.

Greener solvent handling (general knowledge)

  • Prefer less hazardous, more sustainable solvents where compatible with solubility and assay needs.

Illustrative comparison (general; not item-specific)

  • DMSO: High solvency, miscible with water; relatively low volatility; widely used for stocks in screening. Environmental profile acceptable but disposal still required.
  • Ethanol (EtOH): Renewable routes available; good for biological compatibility at low percentages; may not dissolve highly lipophilic compounds at high concentration.
  • 2-MeTHF vs THF: For any synthetic steps or sample workups surrounding this compound, 2-MeTHF is a greener alternative to THF (biobased, lower peroxide formation), but only relevant if you are performing chemistry with this molecule.
  • CPME vs Et2O: CPME offers lower peroxide propensity and better stability.

Best practices

  • Minimize DMSO concentration in biological assays (≤0.5–1% v/v) to reduce solvent burden.
  • Use amber vials and right-sized aliquots to extend solution life and reduce waste.
  • Employ microscale analytics (UPLC) to cut solvent consumption during QC.
  • Segregate waste streams and consult institutional green-chemistry guidelines for solvent selection matrices.
Pharmaceutical Uses

Scope and limitations

  • This product is sold strictly for research use only. No clinical, diagnostic, or therapeutic uses are claimed or permitted.

Formulation-oriented notes (general knowledge; not item-specific)

  • If the compound is evaluated in pre-formulation research, typical prototype vehicles for in vitro or ex vivo work include DMSO stocks diluted into buffered saline or culture medium. For in vivo exploratory studies (outside the scope of this listing), formulation must follow institutional guidelines and regulatory frameworks; consult the SDS and primary literature first.
  • Solubility enhancement tactics may include cosolvents (PEG 400, ethanol), surfactants (Tween-80, Cremophor EL), or inclusion complexes (HP-β-CD). Use only in research contexts and verify compatibility with the test system.

Documentation

  • Pharmacopeial status, impurity limits, and excipient roles are Not specified for this item; refer to CoA/Spec Sheet if applicable. Any use beyond basic research requires comprehensive characterization and regulatory review, which are not provided here.
Physical Properties

Item-specific (from Product Data)

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

Literature/computed (not item-specific)

  • Boiling point, melting point, density, refractive index, logP, pKa, UV-Vis characteristics: Not reported here. For precise values, consult peer-reviewed references for CAS 669073-68-1 or the lot-specific CoA.

General guidance for small-molecule research compounds (general knowledge)

  • Solubility screening hierarchy: start with DMSO (analytical grade, water ≤0.1% if moisture sensitive), then evaluate miscible cosolvents (DMF, NMP, AcCN, MeOH, EtOH) and biphasic options (EtOAc, MTBE) as needed. Actual solubility is structure-dependent and must be experimentally verified.
  • Hygroscopicity/photolability: Storage instructions supplied (2–8°C, protected from light, desiccated) suggest potential sensitivity to moisture and light; minimize exposure during weighing and solution prep.
  • If crystalline, melting point can aid identity confirmation; if amorphous, DSC/TGA may be preferred. Record observed MP for internal QC but do not treat as specification unless on the CoA.
Quality and Grades

Item-specific (from Product Data)

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

Guidance on interpreting grades (general knowledge)

  • Screening/compound library grade: Typically intended for discovery biology/chemistry assays. Documentation often includes identity confirmation (LC–MS, 1H NMR) and purity (HPLC area %) but may not include full elemental analysis.
  • Analytical/AR grade: Emphasis on defined impurity limits and reproducible performance in analytical workflows.
  • HPLC grade solvents/reagents: Defined UV cutoffs and low trace contaminants to minimize background in chromatographic detection.

What to verify for this item

  • Identity confirmation: Request LC–MS and NMR traces aligned to CAS 669073-68-1 and the provided CID.
  • Purity basis: Ensure the reported purity is method-defined (e.g., HPLC at 254 nm, ELSD). If unstated, treat purity as “Not specified” and assess fitness-for-use in your assay.
  • Residual solvents and water content: Not specified for this item; refer to CoA/Spec Sheet. Karl Fischer (water) and GC (residual solvents) can be run in-house if necessary.
  • Stabilizers/inhibitors: None indicated; Not specified for this item—confirm before long-term storage or photolysis studies.
Reaction and Applications

Item-specific (from Product Data)

  • Manufacturer Applications: Not specified in the listing; no reaction roles are claimed.

Applicability assessment

  • Without a disclosed structure, ZK 216348 should be treated as a finished small-molecule research tool/ligand candidate rather than a general-purpose reagent or building block. Consequently, classical synthetic applications (e.g., serving as a catalyst, coupling partner, or protecting group reagent) are not typically relevant.

Research usage patterns (general knowledge)

  • Screening and profiling: Commonly, ZK-designated compounds are evaluated in biochemical and cell-based assays for target engagement, SAR, and ADME profiling. Prepare calibrated DMSO stocks, validate by LC–MS, and include vehicle controls.
  • Analytical characterization: Use LC–UV/ELSD/MS to confirm purity and stability in your chosen solvent. Photostability should be checked, given the light-protection storage requirement.
  • Reference standard use: If employed as an internal or external standard, ensure traceability to a lot-specific CoA with purity assignment and, where possible, quantitative NMR (qNMR) content.

Practical tips

  • Establish a solubility curve across solvents and temperatures prior to high-throughput use.
  • Run stability-indicating assays (e.g., LC with dual-wavelength UV) after freeze–thaw cycles.
  • If derivatization or immobilization is planned, obtain the exact functional group map from the structure before attempting conjugations.
Reaction Conditions

Applicability assessment

  • No synthetic or catalytic role is provided for ZK 216348 in the Product Data. As such, standard “reaction conditions” are not applicable.

General notes (for users who may explore chemistry on this scaffold; not item-specific)

  • Solvent: Begin with dry, oxygen-free solvents consistent with the functional groups present (unknown here). DMSO/DMF/NMP can be used for SNAr/amide couplings; 2-MeTHF/CPME for hydrophobic transformations when feasible.
  • Temperature: Screen ambient to 80 °C for solution-phase derivatizations; avoid heating if photolabile or thermally sensitive.
  • Catalysts/bases: Selection depends entirely on the actual functional groups. Avoid strong bases/nucleophiles until stability is known.
  • Monitoring: LC–MS is preferred for complex scaffolds. Use UPLC for rapid method development. Include light shielding if the compound is photosensitive.

Expected yields

  • Not specified; any yields would be literature- and scaffold-dependent. Establish small-scale feasibility studies before scale-up.
Safety and Handling

Item-specific (from Product Data)

  • Storage: Store at 2–8°C, protected from light, desiccated. Shipped on wet ice.
  • GHS classification, signal word, pictograms, hazard (H) statements: Not specified for this item; refer to SDS.

General safety guidance (always defer to SDS)

  • PPE: Lab coat, safety glasses, and nitrile gloves as baseline. Use chemical splash goggles and additional dermal protection when handling concentrated solutions or powders.
  • Engineering controls: Handle powders/aliquots in a fume hood to avoid inhalation. Employ light shielding (amber glassware/foil) if the compound is photosensitive.
  • Weighing and transfer: Given the desiccated storage requirement, work rapidly with minimal air exposure. Use pre-dried tools and containers. If electrostatic, consider antistatic measures.
  • Incompatibilities: Unknown; avoid strong oxidizers/reductants and acids/bases until compatibility is known. Do not heat or irradiate solutions unnecessarily.
  • First aid (overview): Eye/skin contact—rinse with water for ≥15 min and remove contaminated clothing. Inhalation—move to fresh air; seek medical advice. Ingestion—rinse mouth; do not induce vomiting; seek medical attention. Bring the SDS.
  • Waste: Collect solutions/solids as halogenated or non-halogenated organic waste per institutional policy until composition is confirmed.
  • Note: No hazard category provided here. Treat as a potentially harmful research chemical; implement a risk assessment before use.
Solvent Selection

Item-specific constraints

  • No structure or solubility data are provided. Storage indicates light and moisture sensitivity, which often correlates with better stability in anhydrous, oxygen-free, amberized solutions.

General solvent strategies for small-molecule research compounds (general knowledge)

  • Stock solutions: Begin with anhydrous DMSO (common starting range 5–50 mM). If insoluble, test DMF, NMP, or mixtures (e.g., DMSO:DMF 1:1). For biochemical assays, keep final DMSO ≤0.5–1% v/v to avoid assay interference.
  • Aqueous formulations: If water solubility is poor, use co-solvent systems (e.g., 10–40% AcCN, MeOH, or EtOH in buffer) or add cyclodextrins/surfactants (0.1–1% Tween-20) where biocompatible. Titrate pH only if the compound is known to be ionizable (unknown here—verify first to avoid degradation).
  • Volatile organic options: Acetonitrile, ethyl acetate, and MTBE can be used for workup or intermediate handling; test for stability.
  • Degassing/inerting: If the compound is air/light sensitive, prepare and store solutions under nitrogen or argon in amber vials.

Comparison (general, not item-specific)

  • DMSO vs DMF: DMSO is broadly biocompatible for screening; DMF offers higher solubilizing power but is less desirable in live-cell assays.
  • EtOH vs MeOH: Ethanol is typically preferred for biological systems; methanol may be used for analytical stocks.
  • Aqueous buffers: Choose after confirming ionization behavior; uncontrolled basification or acidification can trigger hydrolysis or isomerization.
Storage and Reconstitution

Item-specific (from Product Data)

  • Storage conditions: Store at 2–8°C, protected from light, desiccated.
  • Shipping: Shipped on wet ice.
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general knowledge)

  • Primary storage: Keep material in the original, tightly closed container with desiccant. Limit headspace and exposure time during handling. Use amber vials or wrap in foil to minimize light exposure.
  • Aliquoting: Upon first opening, subdivide into single-use aliquots under dry inert gas (N2/Ar) if feasible. This minimizes moisture uptake and repeated freeze–thaw/light exposure.
  • Reconstitution: If solid, prepare concentrated anhydrous DMSO stock (e.g., 10–50 mM) based on the molecular weight from the CoA. If MW is not available, determine mass balance by qNMR before potency-critical work.
  • Solution storage: Store DMSO stocks at 2–8°C protected from light for short term. For longer term, consider −20°C in amber vials. Avoid repeated freeze–thaw; thaw gently to room temperature before use and vortex to ensure homogeneity.
  • Stability: No lot-specific stability data are provided. Verify by LC–MS/LC–UV after 1–2 weeks of storage and after a freeze–thaw cycle.
  • Labeling: Include compound name, CAS (669073-68-1), concentration, solvent, preparation date, and your initials on each aliquot.
  • Research Use: For research use only.
Structure and Identity

Item-specific (from Product Data)

  • Product name: ZK 216348 (SKU: Z651002)
  • CAS: 669073-68-1
  • PubChem CID: 9805004
  • InChIKey: 386876 (as provided; note that complete InChIKey typically has 27 characters — verify on the CoA/SDS)
  • 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 chemistry notes

  • “ZK” designations are often used by originators to denote small-molecule research ligands; however, without a provided structure, no assumptions about scaffold, functional groups, stereochemistry, or protonation state should be made.
  • For any structural work (NMR, LC–MS, HRMS, or crystallography), obtain the definitive structure (SMILES/InChI) from the CoA or primary literature that matches the exact CAS (669073-68-1) and lot.

2D structure description (not item-specific due to missing structure)

  • Not available. Once structure is confirmed, describe ring systems (e.g., aromatic/heteroaromatic cores), heteroatom count (O/N/S/halogens), stereocenters (R/S), and functional handles (e.g., amide, urea, sulfonamide) to guide solubility and handling.
Synthetic Utility

Applicability assessment

  • ZK 216348 is listed as a small-molecule library compound. Without a disclosed structure or functional group map, it is not positioned as a synthetic building block or reagent in this catalog entry.

General guidance (not item-specific)

  • Derivatization campaigns (e.g., SAR expansion, biotinylation, or photoaffinity tag installation) require knowledge of reactive handles (amines, alcohols, halides, carboxyls). Obtain the exact structure (SMILES/InChI) and assess chemoselectivity before attempting modifications.
  • If used as a reference standard, synthetic utility centers on calibration and QC rather than transformation—use qNMR for potency assignment and LC–MS to monitor degradation products during forced-degradation studies (acid/base, oxidative, photolytic, thermal).

Retrosynthetic considerations

  • Once the scaffold is known, retrosynthetic planning should focus on convergent assembly of the core, late-stage diversification sites, and stability of protecting groups versus any light/moisture sensitivities implied by storage conditions.

Conclusion

  • Until structural details are confirmed, treat ZK 216348 as a finished research analyte rather than a reagent for transformations.
Target Specificity

Item-specific (from Product Data)

  • No biological target, enzyme, receptor, or pathway specificity is provided for ZK 216348.

Guidance

  • Do not infer target specificity from the “ZK” prefix alone. If used in target-based assays, validate activity with orthogonal methods and appropriate positive/negative controls. Cross-check against the exact CAS (669073-68-1) and lot documentation.

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