AZD-7295 - ≥95% , CAS No.929890-64-2

CAS: 929890-64-2 Cat. No.: A770806 PubChem CID: 57339445

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=C(C=CC(=C4)NC(=O)C5CC5)OC(F)(F)F
• IUPAC Name: 4-[5-(cyclopropanecarbonylamino)-2-(trifluoromethoxy)phenyl]-N-[4-[(4-propylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
• InChIKey: MAQDQJWCSSCURR-UHFFFAOYSA-N
• INCHI: 1S/C32H35F3N4O5S/c1-2-19-45(42,43)39-17-15-38(16-18-39)21-22-3-11-26(12-4-22)36-30(40)24-7-5-23(6-8-24)28-20-27(37-31(41)25-9-10-25)13-14-29(28)44-32(33,34)35/h3-8,11-14,20,25H,2,9-10,15-19,21H2,1H3,(H,36,40)(H,37,41)
• Isomeric SMILES: CCCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=C(C=CC(=C4)NC(=O)C5CC5)OC(F)(F)F
• Alternate CAS: 929890-64-2
• PubChem CID: 57339445

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Biphenyls and derivatives Benzamides Benzoyl derivatives Benzylamines N-arylamides Phenol ethers Phenoxy compounds Phenylmethylamines Aralkylamines N-alkylpiperazines Organic sulfonamides Cyclopropanecarboxylic acids and derivatives Organosulfonamides Sulfonyls Trialkylamines Amino acids and derivatives Trihalomethanes Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Biphenyl - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Benzylamine - Phenylmethylamine - N-arylamide - Phenol ether - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Cyclopropanecarboxylic acid or derivatives - Piperazine - Organosulfonic acid amide - Organic sulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Trihalomethane - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Amine - Carbonyl group - Halomethane - Alkyl halide - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organonitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Chemical and Physical Properties

• Molecular Weight: 644.700 g/mol
• XLogP3: 5.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 644.228 Da
• Monoisotopic Mass: 644.228 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1090.000
• 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 applications, protocols, or recommended dilutions are provided in the Product Data for AZD-7295.

General workflow template for small-molecule tool compounds (not item-specific):

• Stock preparation: Dissolve in dry DMSO to a validated concentration (e.g., 10–50 mM after solubility/stability confirmation). Vortex, sonicate briefly if needed, and filter (0.22 µm PTFE) if particulates persist.
• Aliquoting: Dispense single-use aliquots to minimize freeze–thaw. Label with compound ID, lot, concentration, and date.
• Working solutions: Dilute into assay buffer or media to the required range, keeping final DMSO constant across wells/samples.
• Controls: Include vehicle controls, and if available, an orthogonal positive control. Run at least 3–4 concentrations spanning anticipated EC50/IC50.
• Readout: Follow assay-specific instructions (fluorescence, luminescence, absorbance, MS). Verify no interference with detection (inner filter effects, quenching, or autofluorescence) by running counter-screens.

Please refer to institutional SOPs and any assay kit manuals for detailed steps. For item-specific guidance, consult the CoA/Spec Sheet when available.

Biological Roles

Item-specific biological targets, pathways, or mechanisms of action for AZD-7295 are not provided in the Product Data. The following points outline general roles for small-molecule research tools in life-science studies (not item-specific and not implying any therapeutic use):

• Chemical probes: Employed to perturb specific biochemical pathways, enabling hypothesis testing in cell-based or biochemical assays.
• Target engagement: Used in thermal shift assays, CETSA, SPR/BLI, or NanoBRET target engagement studies to quantify binding in cells or lysates.
• Phenotypic modulation: Applied in phenotypic screening to observe changes in signaling, morphology, or reporter activity; follow-up deconvolution establishes target-pathway linkages.
• ADME method development: Serves as a test article for permeability (PAMPA/Caco-2), microsomal stability, and protein binding workflows.
• Analytical standards: Utilized for retention-time locking, calibration curves, and stability studies in LC–MS/MS bioanalytical methods.

Best practices:

• Validate identity and purity of each lot before use in sensitive biological assays.
• Control for solvent effects (e.g., DMSO ≤0.1–0.5% v/v) and include vehicle controls.
• Establish exposure–response relationships across multiple time points to capture kinetics and potential time-dependent effects.

Note: No claims are made regarding clinical efficacy, safety, or diagnostic use. This product is for research use only (from Product Data).

Buffer Applications

No item-specific buffer compatibility or pKa data are provided. As a general practice for small-molecule tool compounds used in biological assays (not item-specific):

• Aqueous compatibility: Dissolve first in a miscible organic solvent (commonly DMSO), then dilute into the desired buffer while maintaining constant organic content across treatments.
• Common buffers: PBS (pH 7.2–7.4), HEPES (pH 7.0–7.6), or assay-specific media. Choose buffers with minimal UV absorbance or MS adduct formation if analytics are planned.
• Surfactants: Low levels of nonionic surfactants (e.g., 0.01–0.05% Tween 20 or Pluronic F-68) can mitigate aggregation or adsorption, if compatible with the assay readout.
• pH considerations: If the compound is ionizable (structure-dependent), modest pH adjustment can improve solubility; verify chemical stability over the working pH and ionic strength range.
• Filtration: Use 0.22 µm filtration of final working solutions where feasible to remove particulates. Confirm no significant loss to the membrane (test recovery by LC–MS).

Not provided for this item; refer to CoA/Spec Sheet:

• pKa values and isoelectric/charge state behavior
• Solubility limits in common buffers
• Stability in presence of reductants, metal ions, or serum components

Green Alternatives

Because AZD-7295 is a discrete research compound rather than a bulk process solvent or common reagent, "green alternatives" primarily concern the choice of handling solvents and work-up media rather than the molecule itself.

General, greener-practice considerations (not item-specific):

• Prefer water or buffered aqueous systems with minimal DMSO where biologically compatible.
• When organic solvents are required, consider lower-toxicity and higher-boiling, recyclable options such as 2-methyltetrahydrofuran (2-MeTHF), cyclopentyl methyl ether (CPME), or ethyl acetate instead of chlorinated solvents for preparative work.
• For analytical sample prep, isopropanol or ethanol can sometimes substitute for acetonitrile or methanol depending on method performance.
• Implement microscale assays to reduce solvent consumption. Adopt 96-/384-well formats with automated liquid handling to minimize waste and exposure.
• Capture and segregate DMSO-rich waste for targeted disposal, reducing the volume of mixed organic waste streams.

Illustrative comparison (general):

• Acetonitrile vs. ethanol: Ethanol is less hazardous and renewable but may alter chromatographic selectivity and detector response.
• THF vs. 2-MeTHF: 2-MeTHF offers better safety/greenness metrics and lower peroxide propensity, but can change solubility and elution behavior.

Note: No item-specific stabilizers, solvent compatibilities, or green certifications are provided for AZD-7295 in the Product Data.

Pharmaceutical Uses

No pharmacopeial monograph, excipient status, or formulation role is provided for AZD-7295 in the Product Data. The following are general, non-clinical contexts for a research compound (not item-specific, no therapeutic claims):

• Reference standard: Used in method development and validation (e.g., specificity, linearity, accuracy, precision) for LC–MS/MS bioanalytical assays supporting discovery studies.
• Process development studies: Evaluating extraction recovery, forced-degradation pathways, and stability-indicating analytical methods.
• Preformulation research: Exploratory solubility, polymorph screening, and compatibility with excipients to understand physicochemical constraints of a chemotype.
• Impurity profiling: Establishing degradation products and synthetic impurities to support structure–purity relationships in discovery.

Important notes:

• This product is labeled for research use only and is not intended for human or veterinary use in drugs, diagnostics, or medical devices.
• Any use as a working or primary standard should be accompanied by appropriate characterization (identity, purity, potency) and traceable documentation (CoA, spectral data).

Physical Properties

Item-specific physicochemical properties were not supplied.

• 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.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable or not specified for this item; refer to CoA/Spec Sheet.

General laboratory guidance (not item-specific):

• For small-molecule tool compounds, initial dissolution trials commonly start with DMSO, followed by co-solvent dilution into aqueous buffers if biological testing is intended. Typical working stock concentrations: 10–50 mM in DMSO (verify chemical stability first).
• Perform a quick solubility screen across DMSO, DMF, MeOH, EtOH, acetonitrile, and PBS (with 0.1–1% DMSO). Inspect for precipitation, turbidity, and time-dependent crystallization.
• If hygroscopicity or polymorphism is suspected, record mass vs. time at controlled humidity and collect XRPD/DSC data to establish a baseline solid-state profile.

Important: Treat any measured property you obtain in-house as batch-specific unless confirmed by the supplier’s CoA. Use the CoA/Spec Sheet as the definitive source for acceptance criteria.

Quality & Grades

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

Interpretation and best practices (general guidance):

• When grade is unspecified, the CoA/Spec Sheet provides the definitive acceptance criteria (e.g., HPLC area %, residual solvents, identity by NMR/MS, water by Karl Fischer).
• For bioassay applications, low non-volatile residue (NVR) and well-characterized impurity profiles can reduce variability. If UV work is planned, having a UV/Vis spectrum and DAD trace helps confirm low background at assay wavelengths.
• If chiral, confirm enantiomeric purity (e.g., chiral HPLC) where relevant. If polymorphism may impact solubility/bioavailability, request solid-state data (XRPD, DSC, TGA) where available.
• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet. If none are listed, assume neat material; verify stability on storage.
• Lot-to-lot control: For sensitive pharmacology assays, establish a qualification package per lot: identity (HRMS/NMR), purity (HPLC), potency cross-check against a reference lot, and retain analytical raw data for traceability.

Documentation:

• Request and file the CoA, SDS, and any available spectral data with your batch records. Align internal specifications with your method suitability and regulatory framework if used as a reference standard.

Reaction & Applications

This product is positioned as a life-science research compound (tool/reference molecule). It is typically employed in discovery biology and pharmacology workflows rather than as a synthetic reagent. No manufacturer application notes were provided for this item.

Potential research uses (general, not item-specific):

• Reference/benchmark compound in target validation studies, receptor/enzymatic assays, or phenotypic screens.
• Positive/negative control in cell-based assays to confirm assay dynamic range and sensitivity.
• Calibration standard for LC/LC–MS method development (retention behavior, ionization profiling, stability-indicating methods).

Practical handling in assay setup:

• Prepare a concentrated stock in DMSO following solubility confirmation, aliquot, and minimize freeze–thaw to preserve integrity.
• Conduct serial dilutions in assay-compatible media, maintaining constant organic cosolvent across doses.
• Evaluate adsorption to plastics (especially at low nM–µM ranges); pre-rinse or use low-bind labware when needed.

Analytical method notes:

• Use gradient UPLC with MS-compatible buffers (e.g., 0.1% formic acid or ammonium acetate). Establish a stability-indicating method to monitor degradation under light, heat, and varying pH.

Important: Specific biochemical targets, mechanisms, or potencies for AZD-7295 are not provided in the Product Data and are therefore not stated here.

Reaction Conditions

No synthetic reaction conditions specific to AZD-7295 are provided, and the product is not primarily positioned as a reagent for chemical transformations.

General notes (not item-specific):

• If employing AZD-7295 as a starting point for analog synthesis, select conditions based on verified functional groups (e.g., Pd-catalyzed cross-coupling for aryl halides; EDCI/HATU protocols for amide formation; reductive amination over NaBH(OAc)3 or H2/Pd for imines).
• Solvent choice should balance reactivity, safety, and greenness: CPME/2-MeTHF or EtOAc as alternatives to DMF/THF/CH2Cl2 where compatible.
• Temperatures typically range from 0–100 °C depending on the transformation; apply inert atmosphere where air-/moisture-sensitive substrates or catalysts are used.
• Always develop stability-indicating HPLC/UPLC methods to follow conversion, impurity growth, and product stability under the chosen conditions.

Because structural details are not supplied here, users must rely on verified structural data and their own method development to define appropriate reaction conditions.

Safety & Handling

Hazard information was not provided for this item. Always consult the Safety Data Sheet (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.

General laboratory precautions (not item-specific):

• Handle in a fume hood with standard PPE: lab coat, safety glasses, and suitable chemical-resistant gloves (e.g., nitrile). Avoid inhalation of dust/aerosols and contact with skin/eyes.
• Prevent environmental release. Capture liquid and solid waste for disposal per institutional and local regulations.
• Incompatibilities should be evaluated based on functional groups once structural information is confirmed. In the absence of specifics, segregate from strong oxidizers, strong acids/bases, and reactive metals.
• First aid (overview; defer to SDS):
  • Inhalation: Move to fresh air; seek medical attention if symptoms persist.
  • Skin: Wash with soap and water; remove contaminated clothing.
  • Eyes: Rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; continue rinsing.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical advice.
• Fire safety: For most organic solids, use CO2, dry chemical, or foam. Avoid high-pressure water streams that may spread material.

Note: This product is designated for research use only (from Product Data).

Solvent Selection

Item-specific solubility and polarity are not provided. The following is general, literature-based guidance for small-molecule tool compounds, not specific to this item.

• Primary stock solvent: DMSO is the default choice for many drug-like molecules due to broad solvency and assay compatibility at ≤0.1–1% v/v in aqueous media.
• Organic screening set: DMSO, DMF, NMP, MeOH, EtOH, isopropanol, acetonitrile, acetone, ethyl acetate, toluene (in descending polarity). Begin with polar aprotics for hard-to-dissolve materials.
• Aqueous work: For biological assays, dissolve in DMSO, then dilute into buffer (e.g., PBS, HBSS, or assay-specific media) with vigorous mixing. Keep final DMSO low to avoid cytotoxicity or assay interference.
• pH leverage: If the compound has ionizable groups (to be confirmed from structure), moderate pH adjustment can assist dissolution. Use minimal base/acid to avoid decomposition, and validate with stability-indicating HPLC.

Mini comparison (general):

• DMSO: Excellent solvency; may affect some targets above 0.5–1%.
• DMF/NMP: Strong solvency; consider toxicity and extraction into plastics.
• MeOH/EtOH: Volatile and assay-friendly; lower solvency for lipophilic solids.
• Acetonitrile: Good for analytics; moderate solvency.

Practical tips:

• Warm (≤40 °C) and sonicate resistant suspensions; avoid prolonged heating.
• Filter through 0.22 µm PTFE/nylon after dissolution to remove particulates.
• Record exact solvent lots and concentrations for reproducibility.

Storage & Reconstitution

• Storage Conditions (as supplied): Room temperature (from Product Data). Protect from excessive heat, moisture, and light as a general precaution for organic small molecules.
• Shipping: Shipped under normal conditions (from Product Data).

Reconstitution and working solution guidance (general, not item-specific):

• Initial dissolution: Begin with anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM) after confirming solubility and chemical stability. Document exact concentration by weight-in/volume and, if needed, verify by UV or quantitative NMR.
• Aqueous dilution: Dilute the DMSO stock into buffer or media with vigorous mixing; keep final DMSO content consistent across samples.
• Aliquoting and stability: Dispense single-use aliquots, flush headspace with inert gas if air-sensitive, and store in tightly sealed, low-bind vials. Unless stability data indicate otherwise, avoid repeated freeze–thaw cycles.
• Light/moisture sensitivity: If the compound is suspected to be photosensitive or hygroscopic, store in amber vials with desiccant. Validate stability under intended storage and assay conditions using stability-indicating HPLC/LC–MS.

Not specified for this item; refer to CoA/Spec Sheet:

• Exact solubility limits in common solvents
• Decomposition pathways and shelf-life
• Recommended long-term storage temperature for opened/stock solutions

Structure & Identity

Overview: AZD-7295 is listed as a small-molecule research compound from the life-science portfolio. Item-specific structural identifiers are largely not provided in the current Product Data.

• CAS: 929890-64-2 (from Product Data)
• PubChem CID: 57339445 (from Product Data)
• InChIKey: 214109 (from Product Data; note: atypical format vs. 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 (descriptive):

• 2D/3D structural information, ring systems, functional groups, and stereochemical descriptors are not available in the provided Product Data.
• Without a definitive SMILES/InChI, detailed functional-group analysis and depiction are not possible here. Please consult the SDS/CoA or cheminformatics databases linked to the supplied CAS/CID for authoritative structure.

Notes on identity verification (general guidance):

• For compound authentication, consider orthogonal checks: high-resolution MS (exact mass), 1H/13C NMR (solvent selection based on solubility screening), FTIR, and HPLC/UPLC purity profile with diode-array detection.
• If using in bioassay contexts, retaining a digital reference of spectral data per lot is recommended for traceability and reproducibility.

Regulatory/traceability:

• SKU: A770806 (Aladdin Scientific)
• Category Path: 全部 / 可售 / 生命科学
• Research Use: For research use only (from Product Data).

Synthetic Utility

AZD-7295 is supplied as a discrete research compound rather than a commodity reagent or building block. Without item-specific structural information (SMILES/functional groups) in the Product Data, synthetic reactivity or use as a synthon cannot be defined.

General guidance for users considering derivatization (not item-specific):

• Confirm structure and functional-group map via NMR and MS before planning modifications.
• If analog synthesis is intended, identify potential handles (e.g., aryl halides for cross-coupling, amines/acids for amide coupling) from a verified structure source.
• For SAR exploration, maintain a small panel of transformations (amide coupling, SNAr, Suzuki/Miyaura, reductive amination) adaptable to the confirmed scaffold.
• Implement stability-indicating analytics to ensure no scaffold degradation during derivatization (monitor by LC–MS and 1H NMR).

As supplied, this item is not typically employed as a general-purpose reagent. For procurement of related building blocks or protected intermediates, consult Aladdin Scientific’s broader catalog.

Target Specificity

Target, pathway, or binding specificity for AZD-7295 is not provided in the Product Data. No claims regarding biological targets, selectivity, or potency are made here. Consult primary literature or supplier documentation tied to the CAS/CID for any target-related information, and verify experimentally under your assay conditions.