GZD856 formic - ≥98% , CAS No.2804039-78-7

CAS: 2804039-78-7 Cat. No.: G648434 Summenformel: C₃₀H₂₉F₃N₆O₃ Molekulargewicht: 578.58

QUALITÄT & REINHEIT ≥98%

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

GZD856 formic is a potent and orally active PDGFRα/β inhibitor, with IC 50 s of 68.6 and 136.6 nM, respectively. GZD856 formic is also a Bcr-Abl T315I inhibitor, with IC 50 s of 19.9 and 15.4 nM for native Bcr-Abl and the T315I mutant. GZD856 formic has antitumor activity

In Vitro

GZD856 (0.0032-10 μM, 72 h) exerts antiproliferative activity against a panel of lung cancer cells. GZD856 (0.3-3 μM; 24-28 h) induces a dose-dependent G0/G1 phase arrest and apoptosis in H1703 but not A549 cells. GZD856 (0.1-10 μM; 6 h) dose-dependently inhibits the PDGFRα/β phosphorylation and downstream signaling in H1703 and A549 cells. GZD856 inhibits the proliferation of K562, K562R (Q252H) and murine Ba/F3 cells ectopically expressing Bcr-Abl WT and Bcr-Abl T315I , with IC 50 s of 2.2, 67.0, 0.64 and 10.8 nM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: H1703, A549, Calu-6, 95-D, L-78, HCC827, SPCA-1, H1650, H1299, H522, H332 and H820 NSCLC cells Concentration: 0.0032-10 μM Incubation Time: 72 hours Result: Inhibited PDGFRα-overexpressing H1703 cells, with an IC 50 of 0.25 μM. Apoptosis AnalysisCell Line: H1703 and A549 NSCLC cells Concentration: 0.3, 1, 3 μM Incubation Time: 24, 48 hours Result: Led to 54.1% apoptosis in H1703 cells at the concentration of 3.0 µM, whereas only 15.5% apoptotic A549 cells were observed under similar conditions. Decreased the CDK4, cyclin D2, CDK2 and Cyclin E protein levels and activated of PARP and Caspase-3 cleavage in H1703 cells. Western Blot AnalysisCell Line: H1703 and A549 NSCLC cells Concentration: 0.1-10 μM Incubation Time: 6 hours Result: Inhibited the phosphorylation of PDGFRα and PDGFRβ in a dose-dependent manner. Observed the activation of downstream AKT, ERK1/2 and STAT3, with no obvious effects on total protein levels.

In Vivo

GZD856 (10-30 mg/kg, p.o. once daily for 16 d) displays good antitumor activity in both H1703 and A549 lung cancer models and is well tolerated. GZD856 inhibits brain and liver metastasis of lung cancer cells in an A549-Luc orthotopic model . GZD856 (10 mg/kg; p.o. once daily for 8 d) potently inhibits tumor growth in mouse bearing xenograft K562 and Ba/F3 cells expressing Bcr-Abl T315I. GZD856 (5 mg/kg; a single i.v.) exhibits a long half-life (T 1/2 =19.97 h), optimal plasma exposure (C max =934.38 μg/L) and a AUC 0-∞ (8165.8 µg/L•h) in rats . GZD856 (25 mg/kg; a single p.o.) exhibits a long half-life (T 1/2 =22.2 h), optimal plasma exposure (C max =899.5 μg/L) and a good oral bioavailability (BA=78%) in rats . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male CB17-SCID mice implanted with H1703 and A549 cancer cells Dosage: 10, 30 mg/kg Administration: Oral gavage once daily for 16 days Result: Displayed antitumor effects in H1703-xenograft mice, with tumor growth inhibition (TGI) values of 20.8% and 74.1% at dosages of 10 and 30 mg/kg, respectively. Displayed antitumor effects in A549-xenograft mice, with a TGI value of 51.1% at 30 mg/kg. Was well tolerated in all of the tested groups, with no mortality or significant loss of body weight. Animal Model: Sprague-Dawley (SD) rats (180-220 g) Dosage: 5 mg/kg for i.v.; 25 mg/kg for p.o. (Pharmacokinetic Analysis) Administration: A single intravenous injection and oral administration Result: I.v.: T 1/2 =19.97 h; C max =934.38 μg/L; AUC 0-∞ =8165.8 µg/L•h. P.o.: T 1/2 =22.2 h; C max =899.5 μg/L; BA=78%.

Form:Solid

IC50& Target:PDGFRα|68.6 nM (IC|50|)|PDGFRβ|136.6 nM (IC|50|)|Bcr-Abl|T315I|15.4 nM (IC|50|)|Bcr-Abl|19.9 nM (IC|50|)

Spezifikationen

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

GZD856 formic is a potent and orally active PDGFRα/β inhibitor, with IC 50 s of 68.6 and 136.6 nM, respectively. GZD856 formic is also a Bcr-Abl T315I inhibitor, with IC 50 s of 19.9 and 15.4u2009nM for native Bcr-Abl and the T315I mutant. GZD856 formic h

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Molekulargewicht

578.58

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (172.84 mM; Need ultrasonic)

Application Protocols

No item-specific, tested application protocols are provided for this product. The following general protocol outlines good practices for small-molecule handling in research assays (not item-specific):

General small-molecule stock preparation:

• Equilibrate vial to room temperature in a desiccator before opening to minimize moisture condensation (storage is at −20 °C, desiccated).
• Prepare a concentrated stock (e.g., 10–50 mM) in anhydrous DMSO. Vortex and sonicate gently; warm to 30–40 °C if needed. Filter through 0.22 µm PTFE if particulate persists.
• Aliquot into low-bind tubes to avoid adsorption; store aliquots at −20 °C to reduce freeze–thaw cycles.

Assay dilution:

• Thaw an aliquot quickly at room temperature, vortex, and immediately dilute into buffer or media to the desired final concentration, keeping the final DMSO ≤0.5–1% v/v (or per assay tolerance). Inspect for precipitation/turbidity.

Quality control:

• Verify concentration by UV–Vis if the compound has a known extinction coefficient (if unknown, quantify gravimetrically and confirm by LC–MS).
• Include vehicle controls and, if relevant, positive controls for benchmarking.

Documentation:

• Record lot number, preparation date, solvent, and concentration on each aliquot; retain the CoA with your laboratory records.

Biological Roles

No biological function, pathway involvement, or target information is provided for this item. The product is designated for research use only and is supplied within a small-molecule/compound library category.

General guidance for characterizing potential biological roles (not item-specific):

• In vitro profiling: Assess activity in biochemical enzyme panels or receptor binding assays based on any hypothesized mechanism once structural information is available.
• Cellular phenotyping: Utilize cell viability, reporter assays, or high-content imaging to identify phenotypic effects. Include dose–response curves, time-course studies, and vehicle controls.
• ADME pre-screens: Determine permeability (PAMPA/MDCK), metabolic stability (microsomes/S9), and plasma protein binding to contextualize any observed potency (these are literature practices and not specifications).
• Off-target assessment: If activity is observed, counterscreen against common liability targets (e.g., hERG binding, CYP inhibition) in exploratory mode to de-risk follow-up experiments.

Important limitations:

• Without a defined structure or provenance, no claims can be made about endogenous roles, metabolic pathways, or biochemical interactions. Any biological role assignment must be data-driven and corroborated by orthogonal assays.

Compliance note:

• This material is not intended for diagnostic, therapeutic, or in vivo use. Use in biological systems should follow institutional biosafety and chemical hygiene protocols.

Buffer Applications

This product is a discrete small molecule from a compound library, not a buffering reagent. No buffer capacity, pKa values, or recommended buffer recipes are provided.

• Applicability: Not typically used as a buffering component. If the compound is formulated into aqueous solutions for assays, employ standard biological buffers (e.g., PBS, HEPES, MOPS) suitable for your application.
• Practical note (general): Prepare concentrated stocks in a miscible organic solvent (commonly DMSO), then back-dilute into the selected buffer while monitoring for precipitation. Maintain the buffer pH independently of the compound unless the compound’s ionization state is under study.

For any aqueous use, verify:

• Compatibility with the buffer salts and additives (e.g., serum, detergents).
• Stability at the assay pH and temperature over the experimental timeframe.

Green Alternatives

Because the specific structure and use context of “GZD856 formic” are not provided, green chemistry considerations focus on solvent choice and operational practices during handling, dissolution, and any downstream manipulations.

Greener solvent considerations (general guidance; not item-specific):

• Prefer 2‑MeTHF, CPME, or ethyl acetate over chlorinated solvents for any preparative workup where compatible.
• For dissolution and assay preparation, minimize DMSO volumes and consider bio-friendly co‑solvents (ethanol, glycerol derivatives) where the compound’s solubility permits.
• Use aqueous buffers at appropriate pH if intrinsic solubility allows, reducing organic solvent burdens.

Operational improvements:

• Scale minimization: Prepare only the amount of stock needed; aliquot to avoid repeated freeze–thaw, reducing waste.
• Energy use: Thaw and dissolve at ambient or mildly elevated temperatures rather than sustained heating; avoid unnecessary lyophilization cycles.
• Waste management: Segregate halogenated vs non-halogenated solvent waste. Neutralize acids/bases before disposal per institutional guidelines.

Illustrative comparison (general; suitability depends on the compound):

• DMSO vs ethanol: DMSO offers superior solvency but is harder to remove and can affect some assays; ethanol is more volatile and lower-tox profile in many systems but may have limited solubility reach.
• DMF/NMP vs 2‑MeTHF/EtOAc: DMF/NMP dissolve polar scaffolds but are less preferred environmentally; 2‑MeTHF/EtOAc are greener for extractions/workups if the compound partitions appropriately.

Always validate that the greener choice maintains assay fidelity and compound stability.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or manufacturing application is specified for this item. It is supplied strictly for research use only.

General information (not item-specific):

• Discovery research: Library compounds are commonly employed in early-stage hit identification and SAR development, not in finished dosage forms.
• Salt-form considerations: If “formic” denotes a formate salt (to be confirmed from CoA), salt selection can modulate solubility and crystallinity during preformulation research; however, this does not imply suitability for pharmaceutical manufacturing.
• Regulatory status: Absent a pharmacopeial monograph or GMP documentation, materials of this type are not appropriate for clinical or manufacturing use.

If formulation-like studies are undertaken in research:

• Document the counter‑ion, water content, and polymorph/solid state form (XRPD/DSC/TGA) as they can influence dissolution behavior in test systems.
• Conduct forced-degradation screening (pH, oxidative, thermal, photolytic) to understand stability; all data are exploratory and for research only.

Physical Properties

Item-specific physico-chemical data are not included in the Product Data. Do not assume values—consult the CoA/Spec Sheet for definitive specifications.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable unless liquid; not specified for this item; refer to CoA/Spec Sheet.
• Solubility profile: Not specified for this item; refer to CoA/Spec Sheet. Empirical screening (general guidance) in DMSO, DMF, ethanol, methanol, and aqueous buffers with co‑solvent is recommended for small molecules.
• LogP/cLogP, pKa, PSA: Not specified for this item; refer to CoA/Spec Sheet. If structure becomes available, these can be estimated via cheminformatics (literature/computed values), but such values would not constitute specifications.
• Hygroscopicity: Not specified for this item; refer to CoA/Spec Sheet. Note the storage instruction “Desiccated,” indicating potential moisture sensitivity.

General lab guidance for unknown small molecules (literature/practice):

• Begin solubility testing at 1–10 mg/mL in anhydrous DMSO; warm (≤40 °C) and sonicate as needed, then back-dilute into assay media.
• For salt forms, aqueous solubility may differ from the free base/acid; measure pH-dependent solubility if aqueous use is intended.

Quality and Grades

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet. The CoA will detail assay purity (e.g., HPLC area%), major/minor impurities, and residual solvents where applicable.

Context for common grades (general information for small molecules; not item-specific):

• Screening/Library grade: Typical for discovery collections; often supplied with analytical purity (e.g., ≥95% HPLC) and identity confirmation (LC–MS, 1H NMR). UV/fluorescence background may be considered for assay compatibility.
• Analytical Reagent (AR)/ACS grade: Applies to commodity reagents; includes defined impurity limits suitable for analytical work.
• HPLC grade (solvents): Low UV-absorbing impurities; not typically applicable to discrete solid compounds.

Stabilizers and salt forms:

• If the item is a salt (the name “formic” may indicate a formate salt; confirm on CoA), the counter‑ion can influence solubility, stability, and assay performance. Disclose salt content when reporting concentrations (report as “compound free-base equivalent” if required).

Batch-specific documentation:

• Request the lot-specific CoA for: assay purity, residual solvent(s), water content, salt content/counter‑ion, and spectral data (LC–MS, NMR). These are the authoritative specifications for this SKU.

Release testing at receipt (recommended best practice):

• Quick check by LC–MS for identity and purity, and visual inspection. Archive CoA and any in-house QC data with the lot number.

Reaction and Applications

The Product Data places this item in a small-molecule/compound library category, likely intended for screening and discovery research. No specific synthetic or application notes are provided.

Research applications (general guidance for library compounds; not item-specific):

• Biochemical and cell-based screening: Evaluate as part of target-agnostic or target-directed assays. Prepare stable, accurately quantified stocks; include vehicle controls and solubility checks.
• Mechanistic studies: If a structure becomes available, in silico docking or chemoinformatics clustering (e.g., ECFP4, Bemis–Murcko scaffolds) can contextualize potential activity profiles.
• Analytical profiling: Determine pKa/logD (shake-flask or potentiometric), intrinsic solubility, permeability (PAMPA/MDCK), and metabolic stability (microsomes/S9) to inform follow-up studies. These are general/literature practices and not specifications.

Synthetic chemistry use:

• Without structural information, no specific transformations can be recommended. If the compound is a salt form (“formic” as formate, general note), free-base/acid conversion may be feasible via ion-exchange or acid–base workup for mechanistic comparisons in assays.

Practical tips:

• Confirm identity and purity by LC–MS prior to screening.
• Conduct serial dilution in DMSO to minimize precipitation; verify homogeneity by turbidity or light scattering.
• Record batch/lot and maintain chain of custody to ensure reproducibility.

Reaction Conditions

No reaction condition guidance is item-specific in the Product Data. If this compound is to be used as a synthetic intermediate, conditions must be tailored to its functional groups once structural information is available.

General condition frameworks (not item-specific; literature guidance):

• Amide couplings: Carbodiimide (EDC/HOBt alternatives), HATU, or T3P in DMF/DCM/MeCN; base (DIPEA) 0–25 °C. Monitor for overactivation and racemization if chiral centers are present.
• Cross-couplings: Pd-catalyzed Suzuki–Miyaura/Negishi/Buchwald–Hartwig with appropriate ligands; DMF/1,4-dioxane toluene; 25–100 °C under inert atmosphere.
• N/O-alkylations: Alkyl halides or sulfonates in DMF/MeCN with carbonate/cesium base; 0–60 °C.
• Redox chemistry: Hydrogenations (Pd/C, H2) or selective oxidations (Dess–Martin, TEMPO) as compatible with functional groups.

Assay preparation (if used biologically):

• Prepare 10–50 mM DMSO stocks; verify absence of precipitation upon dilution into assay buffers/media; include vehicle controls.

These are general frameworks and not specifications. Select and optimize conditions only after the compound’s structure, stability, and compatibility are confirmed.

Safety and Handling

Authoritative safety information must be taken from the product’s SDS. The Product Data provided here does not include GHS hazard codes or statements.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word / pictograms: Not specified for this item; refer to SDS.
• H‑statements / P‑statements: Not specified for this item; refer to SDS.

General laboratory precautions for small molecules (professional guidance; not item-specific):

• PPE: Wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use in a fume hood to avoid inhalation of dusts/vapors/aerosols.
• Handling: Avoid moisture exposure given the “Desiccated” storage note. Minimize repeated freeze–thaw of DMSO stocks; aliquot upon first dissolution.
• Incompatibilities: Until specific reactivity is known, segregate from strong oxidizers/reductants, strong acids/bases, and reactive metals. Avoid contact with sources of ignition if solvent use is flammable.
• First aid (overview; defer to SDS): If inhaled—move to fresh air. Skin/eye contact—rinse with water for ≥15 min; remove contaminated clothing. Ingestion—rinse mouth; seek medical attention. Provide SDS to responders.
• Spill response: Contain, avoid dust generation, absorb with inert material, and dispose per institutional chemical waste protocols.
• Waste: Collect solutions/solids in properly labeled hazardous waste containers; do not discharge to drains.

Research use only: Not for human or veterinary use.

Solvent Selection

Item-specific solvent preferences are not provided in the Product Data. Selection should be guided by empirical solubility and the intended application.

General solvent strategy for small molecules (professional guidance):

• Stock preparation: Begin with anhydrous DMSO (5–50 mM). If DMSO is unsuitable, try DMF, NMP, ethanol, methanol, acetonitrile, or isopropanol.
• Aqueous work: Prepare a concentrated organic stock and back-dilute into buffer or media (final organic ≤0.5–1% v/v for biochemical assays; ≤0.1–0.5% for sensitive cells). Adjust pH if the compound is ionizable (use appropriate buffer system).
• Solvent screening: Construct a small matrix (temperature, cosolvent %, pH) to identify clear, stable solutions free of precipitation over assay timescales.
• Adsorption mitigation: Include 0.01–0.1% nonionic surfactant (e.g., Tween‑20, Pluronic F‑68) or use low‑bind plastics for highly lipophilic compounds.

Comparison notes (general):

• DMSO vs DMF/NMP: DMSO is broadly compatible with biology but has freezing issues at low temp; DMF/NMP improve solubility for polar, H‑bonding scaffolds but may be less biocompatible.
• Protic alcohols (EtOH/MeOH): Facilitate dissolution for moderately polar compounds; volatility aids removal but may denature proteins at higher percentages.
• Aqueous buffers: Suitable only if intrinsic solubility and ionization permit; pre-warm and adjust pH within biomolecule tolerance.

Always verify solvent effects on assays (vehicle controls) and confirm absence of precipitation after dilution.

Storage and Reconstitution

Item-specific storage conditions provided:

• Storage: Store at −20 °C, desiccated (as provided in Product Data). Protect from moisture. Minimize exposure to ambient humidity and temperature fluctuations.
• Shipping: Shipped in an ice chest with ice pads.

Reconstitution (general guidance for small molecules; not item-specific):

• Solvent choice: If solubility data are unavailable, start with anhydrous DMSO for primary stock solutions. Alternative solvents include DMF, ethanol, or methanol as compatible.
• Concentration: Common working stocks are 10–50 mM. Determine the upper limit empirically to avoid supersaturation and precipitation.
• Technique: Allow vial to equilibrate to room temperature in a desiccator before opening. Add solvent in small increments with vortexing/sonication. If necessary, gently warm (≤40 °C). Avoid prolonged heating or exposure to light if stability is unknown.
• Aliquoting: Divide into single-use aliquots in low-bind tubes, label with lot, solvent, and concentration. Store aliquots at −20 °C in a desiccator or with desiccant packs.

Stability and handling notes:

• Avoid repeated freeze–thaw cycles; discard aliquots showing precipitation, discoloration, or unexpected LC–MS profiles.
• Aqueous solutions (if prepared) are typically less stable; store at 2–8 °C and use promptly (same day) unless stability has been established experimentally.

Specifications not provided:

• Purity, water content, stabilizers, and exact solubility: Not specified for this item; refer to CoA/Spec Sheet.

Structure and Identity

Overview: This product is listed as “GZD856 formic” (SKU: G648434) in the small-molecule/compound library category. Item-specific structural identifiers are not provided in the Product Data.

• Chemical name: Not specified for this item; refer to CoA/Spec Sheet.
• CAS: 2804039-78-7 (as provided)
• Molecular formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
• Synonyms: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general guidance):

• No ring systems, functional groups, or stereochemistry can be described without a structure. If “formic” denotes a formate counter‑ion (general note), the active component could be a formate salt of a basic scaffold. Please confirm on the CoA/Spec Sheet.

2D structure (descriptive):

• Not available in the Product Data. If a structural diagram is needed for documentation, request the structure file (SDF/Molfile) or SMILES from the CoA/Spec Sheet to enable cheminformatics annotations (heteroatom count, HBA/HBD, rotatable bonds, etc.).

Traceability and identity confirmation (general best practice):

• Verify identity upon receipt using LC–MS and, if appropriate, 1H NMR/13C NMR against the supplied reference spectra on the CoA. Record batch/lot number to link all analytical data to this SKU.

Synthetic Utility

Item-specific reactivity and functional group content are not provided, so detailed synthetic roles cannot be assigned.

General guidance for evaluating synthetic utility (not item-specific):

• Functional group mapping: Once the structure is available, identify handles for diversification (e.g., aryl halides for cross-coupling, amines/acids for amide formation, heteroatoms for N/O-alkylation, etc.).
• Salt handling: If supplied as a formate salt (to be confirmed), free-base/acid liberation may be performed prior to derivatization to avoid counter‑ion interference in coupling reactions.
• Protecting groups: Assess need for temporary protection if multiple nucleophilic/electrophilic sites are present to enable chemoselective transformations.
• Late-stage diversification: For SAR exploration, consider C–H activation, Minisci chemistry, or photoredox methods if compatible with the scaffold.

Best practices:

• Establish a solvent and base/acid compatibility map through micro-scale scouting reactions.
• Use LC–MS reaction monitoring and calibrate analytical methods with authentic standards after identity is confirmed.

Note: Without structural information, any specific named reaction recommendations would be speculative and are therefore not provided.

Target Specificity

Target, epitope, clone, and related specificity parameters are not applicable to this product class. This item is a small molecule from a compound library and not an antibody, protein, or nucleic acid reagent.

• Target information: Not specified for this item; refer to CoA/Spec Sheet if any target annotations are provided by the supplier.
• Recommended practice: If used in target-based screening, report any observed potency/affinity values (e.g., IC50, KD) along with full assay conditions and counterscreens to assess selectivity.

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2804039-78-7, the molecular formula is C30H29F3N6O3, and the molecular weight is 578.58 g/mol.

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.