GNF-Pf-3174 , CAS No.6269-27-8

CAS: 6269-27-8 Cat. No.: G984136 Formula: C₁₃H₈ClNO Molecular Weight: 229.660

Storage

Room temperature

Specifications

Condições de armazenamento de armazenamento

Room temperature

Nomes e identificadores

• Sorrisos canónicos: C1=CC=C2C(=C1)C(=O)C3=C(N2)C=C(C=C3)Cl
• IUPAC Name: 3-chloro-10H-acridin-9-one
• InChIKey: GGPBSPRVAAFRAJ-UHFFFAOYSA-N
• INCHI: 1S/C13H8ClNO/c14-8-5-6-10-12(7-8)15-11-4-2-1-3-9(11)13(10)16/h1-7H,(H,15,16)
• Molecular Weight: 229.660

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines
        • Level5 Acridines
          • Level6 Acridones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Acridines
• Direct Parent: Acridones
• Alternative Parents: Hydroquinolones Chloroquinolines Hydroquinolines Pyridines and derivatives Benzenoids Aryl chlorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridone - Dihydroquinolone - Haloquinoline - Chloroquinoline - Dihydroquinoline - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.
• External Descriptors: Not available

Data sources

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.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Molecular Weight: 229.660 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 229.029 Da
• Monoisotopic Mass: 229.029 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 294.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Application Protocols

No tested application protocols (e.g., assay formats, concentrations, or workflows) are provided in this catalog entry for GNF-Pf-3174.

• Recommended dilutions, positive controls, or validated assay conditions: Not specified for this item; refer to CoA/Spec Sheet.

Please consult peer-reviewed literature or your internal SOPs for protocol development suitable to your research context.

Biological Roles

Item-specific biological targets, modes of action, or pathway associations are not provided for this product. The naming convention (GNF-Pf-####) is often used in discovery programs for small-molecule screening entities; however, no target or organism specificity can be concluded from this catalog entry alone.

General considerations for small-molecule research compounds:

• They may serve as chemical probes to perturb biochemical pathways in vitro, in cells, or in model organisms, subject to appropriate approvals and safety protocols.
• Interpreting biological effects requires robust controls (vehicle, positive/negative standards) and orthogonal assay confirmation to exclude artifacts such as aggregation, redox cycling, or fluorescence interference.
• If exploring mechanism, consider target engagement measurements (e.g., CETSA, DARTS, SPR, ITC) and selectivity profiling across related targets or counterscreens.

No clinical or diagnostic use is intended or implied. For any biological context, please obtain the structure and purity data (CoA), confirm identity by LC–MS/NMR if needed, and document batch/lot information for reproducibility.

Buffer Applications

This product is a small-molecule research compound and is not a buffering agent. No specific buffer systems or recipes apply directly to this item.

Practical notes:

• When dosing into aqueous buffers for biochemical assays, maintain low organic cosolvent levels (commonly ≤0.1–0.5% DMSO) and confirm compound stability at the working pH and temperature.
• Include vehicle-only controls at the same organic solvent percentage as treated samples.

For actual buffer preparation guidance (e.g., PBS, HEPES, Tris), refer to dedicated buffering reagents rather than this product.

Green Alternatives

Because GNF-Pf-3174 is a discrete research compound (not a reaction solvent or bulk reagent), "green alternative" considerations mainly relate to handling and formulation practices rather than replacing the compound itself.

Greener handling practices (general):

• Prefer DMSO/ethanol over chlorinated solvents for stock solutions where compatible with your assay.
• Use microscale preparations and high-throughput dilution robots/dispensers to minimize solvent waste.
• Implement closed-well plates and low-dead-volume tips to reduce evaporative losses.
• Dispose of solvent waste via approved routes; segregate halogenated from non-halogenated streams.

If your workflow requires non-green solvents (e.g., DMF, NMP, dichloromethane) for solubilization or cleanup, consider the following substitutions when feasible:

• Replace DCM/CHCl3 washes with ethyl acetate or MTBE when extraction efficiency allows.
• Replace DMF/NMP with propylene carbonate or glycerol carbonate in certain sample preparations if compatible.

Trade-offs:

• Greener solvents may have lower solvency for highly lipophilic compounds or may affect biochemical assays; verify compatibility empirically.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is provided for this item. It is supplied strictly for research use only.

Context and guidance:

• If used in preformulation or discovery studies, treat as a research chemical standard. Document solvates, polymorph tendencies, and stability under ICH-like stress conditions only as needed for your internal research.
• No medical, therapeutic, or diagnostic claims are made or should be inferred from this listing.

For formulation excipients and compendial-grade substances, please consult our dedicated catalog sections.

Physical Properties

Item-specific physicochemical data are not present in this listing.

• 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.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet. For assay use, many small molecules are prepared as DMSO stocks (e.g., 10–50 mM), then diluted into aqueous media with final DMSO ≤0.1–0.5%.
• logP/logD, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general, not item-specific):

• If structure is known to you, estimate solubility and ionization using cheminformatics (e.g., predicted pKa/logD) and run a small solubility screen in DMSO, DMF, ethanol, and aqueous buffers (with co-solvent).
• Assess stability by bench-top observations and quick analytical checks (HPLC/UPLC, LC–MS) over 24–72 h at room temperature and 4–8 °C in intended assay diluent.
• For hygroscopic or light-sensitive materials (unknown here), protect from moisture/light accordingly until item-specific data are obtained from the CoA/SDS.

Quality and Grades

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

Interpretation and guidance:

• In the absence of a stated grade (e.g., ≥98%, HPLC grade, bioactive screening grade), assume standard research-grade material suitable for discovery chemistry and general laboratory experiments.
• If your application is analytical or biological screening, request the actual assay purity (e.g., HPLC/UPLC area %) and identity confirmation (NMR/LC–MS, HRMS) from the CoA. Ask whether residual solvents, water content (KF), and inorganic residues (ash, metals) are characterized.
• For structure–activity work, consistent lot-to-lot characterization (same analytical method) is recommended. Document chromatographic conditions and detection wavelength to compare purity across lots.
• If a stabilizer is present (not stated here), consider its impact on your assay (UV background, redox behavior) and plan purification or matching controls accordingly.

Documentation available on request:

• CoA, specification sheet, and SDS; batch-specific analytical data can be provided for qualified orders.

Reaction and Applications

This product is presented as a finished small-molecule research chemical rather than a synthetic reagent or catalyst. No manufacturer application notes are provided in the listing.

Practical research uses (general guidance, not item-specific claims):

• Reference/standard: Use as a reference material in analytical method development (HPLC/UPLC retention mapping, LC–MS qualifier/quantifier optimization) after confirming structure and purity from the CoA.
• Probe evaluation: Evaluate in biochemical or cell-based assays within a structured screening cascade. Control for vehicle (DMSO) and nonspecific assay interference (e.g., detergent-sensitive readouts, redox/fluorescence artifacts).
• Orthogonal confirmation: Pair primary readouts with orthogonal assays (e.g., enzymatic activity vs binding displacement) to validate observed effects.
• Stability checks: Verify stability in assay buffer/media over the assay window to distinguish true activity from degradation artifacts.

If you intend to derivatize this compound for SAR or tagging:

• Obtain the full structure and functional group map from the CoA/literature before attempting transformations. Protecting-group planning and compatibility assessments should be made accordingly.

Note: No specific reactions (e.g., cross-couplings, condensations) can be recommended without the disclosed structure.

Reaction Conditions

No synthetic reaction conditions are applicable to this listing because the compound is supplied as a finished small molecule, and no functional group information is provided.

If you intend to modify the compound (general advice):

• Confirm structure and assay purity (HPLC/UPLC), and assess chemical stability in likely reagents/solvents on micro-scale before committing to synthetic steps.
• Use orthogonal analytics (LC–MS, NMR) after each modification, and document exact conditions and yields for reproducibility.

Otherwise, this section does not apply.

Safety and Handling

Safety information in this catalog entry is incomplete; defer to the SDS for authoritative guidance.

• GHS Classification: Not specified for this item; refer to SDS.
• Signal Word / H-Statements / Pictograms: Not specified for this item; refer to SDS.
• Primary use: For research use only (not for human or veterinary use).

General laboratory precautions (good practice for small molecules):

• Wear appropriate PPE: lab coat, safety glasses, and nitrile gloves. Work in a fume hood when weighing, transferring, or preparing solutions.
• Avoid inhalation of dusts/aerosols and skin/eye contact. Prevent environmental release.
• Store separately from strong oxidizers and acids/bases unless the SDS specifies otherwise for this item.
• In case of skin/eye contact: rinse with water for ≥15 minutes; remove contaminated clothing; seek medical attention as per SDS.
• For spills: contain, collect with inert absorbent, and dispose per institutional and regulatory requirements.

Special risks/unknowns:

• With no disclosed functional groups, specific incompatibilities (e.g., strong oxidizers for amines, base-sensitive esters) cannot be stated here. Until item-specific data are available, handle as a generic organic research chemical with unknown hazard profile and minimize exposure.

Always consult the SDS for GNF-Pf-3174 prior to use; request it from Aladdin Scientific if not already provided.

Solvent Selection

Item-specific polarity and solubility parameters are not disclosed. The following is a practical, general workflow for small-molecule research chemicals like GNF-Pf-3174.

• Primary stock solvent: Dimethyl sulfoxide (DMSO) is commonly used for small-molecule stocks (10–50 mM). Filter-sterilize if needed through 0.22 µm PTFE.
• Co-solvent options: DMF, NMP, ethanol, isopropanol, or PEG400 can aid solubilization if DMSO alone is insufficient (check assay compatibility).
• Aqueous dilution: Titrate compound into buffer or cell media with vigorous mixing; maintain final DMSO ≤0.1–0.5% v/v for most biological assays to limit vehicle effects.
• pH adjustment: If the compound has ionizable groups (unknown here), modest pH adjustment (±1 unit) may improve solubility; avoid extremes unless stability is verified.
• Surfactants: 0.01–0.05% non-ionic surfactant (e.g., polysorbate 20) can reduce aggregation/adsorption in biochemical assays.

Quick comparison (general):

• DMSO: excellent solvency, miscible with water; may affect sensitive enzymes at >0.5%.
• DMF/NMP: strong solvency; evaluate cytotoxicity in cell assays; use minimal percentages.
• Ethanol/IPA: volatile, broadly compatible; lower solvency for very lipophilic compounds.

Tip: Run a 8–12 point solubility mini-screen (visual check + UPLC) before critical experiments and document the chosen solvent system in your methods.

Storage and Reconstitution

• Storage Conditions (from Product Data): Room temperature.
• Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
• Reconstitution Solvent/Procedure: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (not item-specific; follow your institutional SOPs):

• Keep container tightly closed in a dry, well-ventilated place. Protect from excessive heat, moisture, and light until item-specific stability is confirmed.
• For assay use, prepare a concentrated DMSO stock under clean, dry conditions if compatible. Record concentration precisely and store in aliquots to avoid repeated freeze–thaw where applicable.
• If stability is uncertain, consider storage at 2–8 °C or –20 °C for solutions and minimize exposure to air and light. Verify stability by LC–MS/HPLC after storage.

For definitive storage and reconstitution instructions, please refer to the product’s CoA/Spec Sheet and SDS.

Structure and Identity

Brief overview: GNF-Pf-3174 is listed as a small-molecule research chemical in our life-science portfolio. Detailed structure data are not included in this catalog entry.

• SKU: G984136
• Product Name: GNF-Pf-3174
• CAS: 6269-27-8
• PubChem CID: 410965 (catalog reference)
• InChIKey (catalog): 101541 (appears truncated; not a standard 27-character InChIKey)
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general):

• Item-specific functional groups, ring systems, and stereochemistry are not provided in this listing. Please consult the Certificate of Analysis (CoA) or structure disclosure in associated literature/Patents for definitive identity.

2D structure description:

• Not available in this entry. If you have a published SMILES/InChI for this CAS, we can assist in generating a structure diagram and discussing functional group implications.

Synthetic Utility

GNF-Pf-3174 is offered as a discrete small-molecule product, not as a general-purpose building block. Without the disclosed structure, meaningful synthetic planning, named-reaction suggestions, or functional group transformations cannot be provided.

Potential roles (general, contingent on structure availability):

• Reference standard for analytical method validation (LC–MS/MS quantitation in ADME/DMPK labs) once identity is confirmed.
• Internal control in high-throughput screening or as a comparator compound in SAR campaigns.
• If reactive handles are present (unknown here), derivatization for biotinylation/fluorophore tagging or for immobilization on solid supports may be feasible following confirmation of chemical compatibility.

Recommendation: Obtain the complete structural information (SMILES/InChI, NMR) from the CoA or literature before planning any synthetic manipulation.

Target Specificity

No target, enzyme, receptor, or organism specificity is provided for this product in the catalog entry.

• Target name, selectivity profile, potency metrics (e.g., IC50/Ki), and off-target panels: Not specified for this item; refer to CoA/Spec Sheet or primary literature if available.

If you have an intended target from your research or from published sources, we recommend implementing:

• Appropriate counterscreens against related targets to gauge selectivity.
• Orthogonal mechanism-of-action assays to confirm on-target effects.