AZD1386 - Moligand™ , Vanilloid receptor antagonist, CAS No.946080-23-5, Vanilloid receptor antagonist

CAS: 946080-23-5 Cat. No.: A607856 Formula: C19H13ClF3N3O3 Molecular Weight: 423.8 PubChem CID: 24752296
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
CID 24752296 | KB-270807 | GTPL7820 | 5/'-chloro-7/'-methyl-1/'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-5,3/'-indole]-2,2/',4-trione | DXDVSYALLVVBOV-UHFFFAOYSA-N | AZD 1386 | SCHEMBL4257077 | Q27074708 | 5'-chloro-7'-methyl-1'-[[3-(trifluo
Storage
Room temperature
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Size
USA
Germany (EU)*
Price
Qty
5mg
A607856-5mg
Made to order · 8–12 wks

$1,142.90

$1,334.90
Save $192.00 (14.38%)
25mg
A607856-25mg
Made to order · 8–12 wks
$1,400.90
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
CID 24752296 | KB-270807 | GTPL7820 | 5/'-chloro-7/'-methyl-1/'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-5,3/'-indole]-2,2/',4-trione | DXDVSYALLVVBOV-UHFFFAOYSA-N | AZD 1386 | SCHEMBL4257077 | Q27074708 | 5'-chloro-7'-methyl-1'-[[3-(trifluo
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
ANTAGONIST, INHIBITOR
Mechanism of action
Vanilloid receptor antagonist
Product Properties
ALogP3.2
Names and Identifiers
Canonical SmilesO=C1NC(=O)C2(N1)c1cc(Cl)cc(c1N(C2=O)Cc1cccc(c1)C(F)(F)F)C
IUPAC Name5'-chloro-7'-methyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
InChIKeyDXDVSYALLVVBOV-UHFFFAOYSA-N
INCHI1S/C19H13ClF3N3O3/c1-9-5-12(20)7-13-14(9)26(16(28)18(13)15(27)24-17(29)25-18)8-10-3-2-4-11(6-10)19(21,22)23/h2-7H,8H2,1H3,(H2,24,25,27,29)
Isomeric SMILES CC1=CC(=CC2=C1N(C(=O)C23C(=O)NC(=O)N3)CC4=CC(=CC=C4)C(F)(F)F)Cl
PubChem CID 24752296
Molecular Weight 423.8

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
ClassAzolidines
SubclassImidazolidines
Intermediate Tree Nodes Imidazolidinones - Imidazolidinediones
Direct ParentHydantoins
Alternative Parents Trifluoromethylbenzenes  Alpha amino acids and derivatives  Indoles and derivatives  5-monosubstituted hydantoins  N-acyl ureas  Aryl chlorides  Tertiary carboxylic acid amides  Dicarboximides  Lactams  Azacyclic compounds  Hydrocarbon derivatives  Organochlorides  Carbonyl compounds  Organopnictogen compounds  Organofluorides  Organonitrogen compounds  Alkyl fluorides  Organic oxides  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Hydantoin - Alpha-amino acid or derivatives - Trifluoromethylbenzene - Indole or derivatives - 5-monosubstituted hydantoin - Ureide - N-acyl urea - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dicarboximide - Tertiary carboxylic acid amide - Carboxamide group - Urea - Lactam - Carbonic acid derivative - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
TRPV1 Tclin Transient receptor potential cation channel subfamily V member 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Solution Calculators
Reviews

Customer Reviews

Application Protocols

No tested applications, assay types, or recommended dilutions are provided in the Product Data for this item.

  • Tested applications: Not specified for this item; refer to CoA/Spec Sheet.
  • Recommended working concentrations: Not specified for this item; refer to CoA/Spec Sheet.
  • Positive controls/standards: Not specified for this item; refer to CoA/Spec Sheet.

For protocol development, users should validate concentration ranges, vehicle controls, and exposure times appropriate to their assay systems and adhere to institutional SOPs.

Biological Roles

Item-specific biological target(s) or pathway information are not provided for AZD1386 in this catalog entry.

General context for small-molecule research compounds (not item-specific claims)

  • Synthetic small molecules serve as chemical probes to perturb biological pathways, enabling target validation, phenotypic screening, and mechanistic interrogation in cells or cell-free systems.
  • When a molecule’s primary target is unknown (or not disclosed), researchers typically apply broad profiling (kinome/GPCR/enzyme panels, transcriptomics, thermal shift assays) to infer mechanism of action.
  • Off-target assessment is essential to distinguish on-target pharmacology from pleiotropic effects, particularly at higher concentrations or with lipophilic scaffolds that can aggregate.

Best practices

  • Establish a concentration–response curve across multiple assay formats to identify consistent phenotypes and potential cytotoxicity thresholds.
  • Evaluate compound interference potential (fluorescence quenching, redox cycling, aggregation) using counter-screens (e.g., detergent sensitivity, light scattering, AMP/NADH absorbance controls).
  • Where applicable, deploy chemoproteomics (e.g., CETSA, DARTS, photoaffinity analogs) to map protein engagement.

Note

  • No endogenous biological role is implied for AZD1386; it is supplied strictly for research use. For any target-specific assertions, consult peer-reviewed literature and verify against the precise structural identity from the CoA.
Buffer Applications

AZD1386 is a research small molecule rather than a buffering agent. Therefore, classical buffer-system formulation (pKa-defined buffering ranges) is not applicable.

Practical guidance for using small molecules in buffered assays (general)

  • Stock preparation: dissolve in anhydrous DMSO (typ. 10–50 mM), then dilute into assay buffer immediately before use.
  • Final DMSO: keep ≤0.1–0.5% v/v when compatible with the biology; include a DMSO vehicle control at the same percentage.
  • Common assay buffers: PBS, HBSS, HEPES- or Tris-buffered saline for cell-based work; enzyme assays may require specialized buffers (pH, cofactors, salts) matched to the target system.
  • Solubility aids: small amounts of non-ionic surfactant (e.g., 0.01–0.05% Tween-20) can mitigate aggregation for hydrophobic compounds; validate that the surfactant does not affect the assay readout.
  • Filtration: if precipitation is observed after dilution, refilter through 0.22 µm PVDF/nylon and retest activity; adjust concentration or DMSO percentage as needed.

Note

  • Buffer compatibility and stability are compound- and assay-specific. Because item-specific solubility and pKa are not provided, perform a rapid pretest of clarity, stability (by LC–MS), and assay tolerance under intended buffer conditions.
Green Alternatives

This product is a discrete small-molecule screening compound rather than a commodity solvent or reagent. “Green alternative” comparisons typically apply to solvents (e.g., replacing THF with 2-MeTHF) or bulk reagents. As such, this section is not directly applicable to AZD1386.

General guidance for greener practice when working with small-molecule libraries

  • Minimize DMSO volumes by preparing the highest practical stock concentration compatible with solubility to reduce solvent use.
  • Use aqueous buffers with low DMSO percentages (≤0.1–0.5%) when assay-compatible.
  • Adopt miniaturized assay formats (e.g., 384/1536-well) to reduce chemical footprint.
  • Choose low-toxicity, low-VOC co-solvents (e.g., ethanol) where feasible and validated for the assay.
  • Implement solvent recycling and segregated waste streams to enable downstream recovery.

Trade-offs

  • While greener co-solvents may be desirable, solubility and assay performance are primary constraints. Always balance environmental objectives with compound stability, analytical sensitivity, and biological tolerance.
Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is provided for AZD1386 in this catalog entry. It is supplied strictly for research use only.

General research/formulation context for small molecules (not item-specific claims)

  • Reference/benchmark compound: may be used internally as a control article in discovery assays, ADME method development, or as part of a profiling panel.
  • Preformulation screens: determine solubility (pH, co-solvents), stability (oxidation, hydrolysis, photolysis), and compatibility with excipients if your research requires in vitro dose-form mimicry.
  • Analytical standards: can support calibration and retention-time indexing in LC–UV/MS workflows when a verified purity and identity are available from the CoA.

Cautions

  • No clinical, diagnostic, or therapeutic use is authorized or implied. Do not administer to humans or animals.
  • If used in dosage-form research models, adhere to institutional policies and ensure all work remains within non-clinical, non-GLP discovery contexts.

Documentation

  • For any regulated research setting, obtain and retain the lot-specific CoA and SDS to document identity, purity basis, and handling requirements.
Physical Properties

Item-specific specifications

  • Appearance: 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.
  • Melting point: Not specified for this item; refer to CoA/Spec Sheet.
  • Boiling point: Not specified for this item; refer to CoA/Spec Sheet.
  • Density: Not specified for this item; refer to CoA/Spec Sheet.
  • UV/Vis characteristics: Not specified for this item; refer to CoA/Spec Sheet.
  • Water content, residual solvents, metal content: Not specified for this item; refer to CoA/Spec Sheet.

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

  • Many drug-like research compounds are crystalline or amorphous solids that dissolve well in polar aprotic solvents such as DMSO and DMF; solubility in aqueous buffers often requires co-solvent (e.g., 0.1–1% DMSO) or surfactant.
  • Typical DMSO stock concentrations: 10–50 mM, filter-sterilized if required by the application.
  • If the compound contains ionizable groups (unknown for this item), solubility may be improved by preparing salt forms or adjusting pH. Avoid strong base/acid unless the compound’s stability profile is known.

Notes

  • Where precise values are required for formulation, chromatographic method development, or physicochemical profiling (logP/logD, pKa, refractive index), please consult the CoA/Spec Sheet or primary literature associated with CAS 946080-23-5.
Quality & Grades

Item-specific

  • Grade/Purity: Moligand™ (as provided in Product Data)

What Moligand™ implies (general description)

  • Moligand™ indicates a research-grade small-molecule intended for screening, target validation, and chemical biology workflows. Typical controls for such grade include identity confirmation (e.g., LC–MS, 1H NMR) and an assay of purity suitable for library use. Specific acceptance criteria (purity %, residual solvents, water content, salt form) are not listed for this item and should be verified on the CoA/Spec Sheet.

Analytical considerations (general)

  • Identity: Generally confirmed by mass spectrometry and NMR; where available, an HPLC/UPLC chromatogram provides purity and peak homogeneity.
  • UV suitability: Not specified for this item; refer to CoA/Spec Sheet. If using in HPLC/UV assays, perform a baseline scan (200–400 nm) of your lot to set detection wavelengths and assess background absorbance.
  • Counterions/solvates: If supplied as a salt or solvate, assay values may be reported on a free-base/acid or total mass basis; check the CoA to avoid concentration errors in screening plates.

Recommendation

  • For quantitative biology or medicinal chemistry, request: (1) exact purity basis and method, (2) residual solvent panel, (3) water content, and (4) salt/solvate information for the specific lot of AZD1386 (SKU A607856).
Reaction & Applications

Context for use

  • This listing presents AZD1386 as a Moligand™ small molecule for research use (e.g., screening, target validation, chemical biology). No specific manufacturer applications or biological targets are provided in the Product Data.

Research applications (general; not item-specific claims)

  • High-throughput screening (HTS) and focused profiling: use as a member of a screening library to probe phenotypes or pathways.
  • Mechanistic studies: evaluate structure–activity relationships (SAR) around the scaffold (if analogs are available) and assess physicochemical liabilities such as solubility and stability.
  • Analytical reference: serve as a reference standard in LC–MS method development or retention-time mapping within a library.

Practical notes

  • Plate handling: prepare parent stocks at 10–20 mM in DMSO; dispense to assay plates with low-binding tips/plates to minimize adsorption. Seal and store desiccated to reduce DMSO uptake of water.
  • Stability checks: perform a short-term stability study (e.g., 24–72 h at room temperature and 4 °C in DMSO) by LC–MS to verify integrity during assay timelines.
  • Light/moisture sensitivity: unknown for this item; minimize exposure until stability is confirmed.

Non-applicability

  • AZD1386 is not presented as a synthetic reagent or catalyst in this catalog entry. If you intend to use it in chemical synthesis, first confirm functional-group compatibility and stability (no data are provided here).
Reaction Conditions

Not applicable in the typical sense: AZD1386 is provided as a finished research compound rather than a reagent to drive chemical transformations. No reaction conditions, catalysts, or temperature ranges are specified for this item.

General handling conditions for preparing solutions (not item-specific reaction data)

  • Dissolution: begin with anhydrous DMSO at room temperature; mild warming (≤40 °C) and brief sonication can aid dissolution.
  • Filtration: if needed, pass solutions through 0.22 µm PTFE/PVDF to remove particulates; verify recovery.
  • Stability checks: analyze aliquots by LC–MS after exposure to light, air, and assay buffer for 24–72 h to confirm suitability for your workflows.

If your research aims to use AZD1386 in chemical synthesis or derivatization, first obtain the exact structure and consult literature relevant to that scaffold for reaction condition guidance.

Safety & Handling

Authoritative safety data

  • GHS Classification: Not specified for this item; refer to SDS.
  • Signal Word: Not specified for this item; refer to SDS.
  • Hazard (H) statements: Not specified for this item; refer to SDS.
  • Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (not item-specific; follow SDS when available)

  • Handle in a chemical fume hood; avoid inhalation of dust/aerosols and contact with skin/eyes.
  • Recommended PPE: lab coat, safety glasses or goggles, and appropriate chemically resistant gloves (e.g., nitrile). For weighed solids, consider a dust mask or respirator per institutional policy.
  • Avoid incompatible materials until compatibility is confirmed (strong oxidizers, strong acids/bases). Do not heat or sonicate in sealed systems without pressure relief.
  • In case of skin/eye contact: rinse with plenty of water for ≥15 minutes; remove contaminated clothing. If inhaled: move to fresh air. If ingested: rinse mouth; seek medical attention. Always defer to the product SDS for first-aid specifics.

Risk awareness for research compounds

  • Toxicological and ecotoxicological profiles for discovery compounds are often incomplete. Treat as potentially harmful; minimize exposure and environmental release.
  • Waste disposal: collect residues/solutions as hazardous organic waste according to local regulations.

Storage

  • Per Product Data: store at room temperature. Protect from moisture and excessive light until additional stability information is available on the CoA/SDS.
Solvent Selection

Item-specific solubility data are not provided for AZD1386; consult the CoA/Spec Sheet. The following guidance is general for drug-like screening compounds and should be validated experimentally with your lot.

  • Primary stock solvent: DMSO is recommended as first-line due to its broad solvating power for heteroaromatics, amides, and other drug-like scaffolds.
  • Typical stock concentration: 10–50 mM in anhydrous DMSO. Warm gently (≤40 °C) and vortex/sonicate briefly to assist dissolution. Avoid prolonged heating.
  • Secondary solvents: DMF, NMP, ethanol, or 1:1 DMSO:acetonitrile can help where DMSO alone is insufficient. Confirm assay compatibility.
  • Aqueous use: For biological assays, dilute DMSO stocks into buffer just before use. Keep final DMSO ≤0.1–0.5% v/v where possible; confirm tolerance for your assay system.
  • Avoid: Strongly acidic/basic aqueous media unless stability is known. Some discovery compounds hydrolyze or isomerize at extreme pH.

Quick comparison (general)

  • DMSO: highest likelihood of dissolution; excellent chemical stability; strongest effect on cells/enzymes at high %.
  • DMF/NMP: strong solvents; higher toxicity and potential assay interference; use sparingly.
  • EtOH/MeOH: greener and volatile; limited solubility for highly lipophilic compounds.

Practical tips

  • Perform a small-scale solvent screen (DMSO, DMSO:MeCN, EtOH, buffer + 0.5% DMSO) while monitoring clarity at working concentration.
  • Filter 0.22 µm if particulate persists and the compound is not adsorptive; validate recovery.
Storage & Reconstitution

Item-specific

  • Storage Conditions: Room temperature (from Product Data). Protect from moisture and excessive light until lot-specific stability data are reviewed.
  • Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
  • Appearance: Not specified for this item; refer to CoA/Spec Sheet.

Reconstitution (general guidance; not item-specific specifications)

  • Recommended stock solvent: anhydrous DMSO.
  • Typical stock concentration: 10–50 mM, adjusted based on observed solubility. Warm gently (≤40 °C) and vortex/sonicate briefly.
  • Filtration: If particulates remain, filter through 0.22 µm PTFE/PVDF; verify compound recovery by LC–MS/UV.
  • Aliquoting: Dispense single-use aliquots to minimize freeze–thaw and moisture uptake. Seal plates/tubes with vapor-tight caps or heat seals.

Short- and medium-term handling

  • Working solutions in aqueous buffer should be prepared fresh and used promptly. If storage is necessary, keep cold (2–8 °C) and protected from light; confirm stability empirically.
  • Solid-state stability and solution stability in DMSO/buffer: Not specified for this item; refer to CoA/Spec Sheet and SDS for lot-specific guidance.

Research Use Note

  • For research use only. Not for human or animal use. Always consult the SDS for definitive handling and storage instructions.
Structure & Identity

Brief overview: AZD1386 is supplied as a Moligand-grade small-molecule screening compound under an AstraZeneca development code name.

  • SKU: A607856
  • Product Name: AZD1386
  • CAS: 946080-23-5 (item-specific, from Product Data)
  • PubChem CID: 24752296 (item-specific)
  • InChIKey: 75164 (as provided in Product Data)
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

Structural description

  • Item-specific structural identifiers (SMILES/InChI) are not provided in the Product Data. Without these, a precise functional-group and ring-system description cannot be given for this catalog listing.

Context and terminology (general)

  • “AZDxxxx” designations are development codes commonly used for small molecules in discovery pipelines. AZD1386 is presented here as a research-use compound for screening and profiling applications; no biological target or scaffold information is provided in this listing.

Notes

  • For definitive stereochemistry, tautomeric state, salt form (if any), and exact atom connectivity, consult the item’s Certificate of Analysis (CoA) or Specification Sheet.
  • If you require exact structure files (SDF/MOL/SMILES) for cheminformatics or plate registration, please request them from Aladdin Scientific customer support referencing SKU A607856.
Synthetic Utility

The present catalog entry offers AZD1386 as a finished small-molecule research compound, not as a general-purpose synthetic reagent or building block. No functional-group information is provided, so specific transformations cannot be recommended.

General considerations (not item-specific)

  • If AZD1386 is to be derivatized for probe development (e.g., biotinylation, photoaffinity tagging, fluorophore conjugation), first confirm the scaffold’s modifiable positions by consulting structural information from the CoA/literature.
  • Stability assessment under coupling conditions: test tolerance to common bioconjugation chemistries (amide formation, click reactions) on a small scale to ensure the core remains intact.
  • Analytical tracking: monitor reactions by LC–MS with both UV and MS channels; prepare authentic references where possible.

Retrosynthetic perspective

  • Without disclosed structure, it is not feasible to outline disconnections or named-reaction routes. If you intend scaffold remodeling or SAR expansion, obtain or determine the exact structure, then select tactics appropriate to the motif (e.g., Suzuki–Miyaura for aryl–aryl linkages, Buchwald–Hartwig for C–N formation, or amide couplings for side-chain variation).

Bottom line

  • Treat AZD1386 primarily as a probe candidate for biological research. For synthetic applications, secure the full structural definition and stability profile first.
Target Specificity

Item-specific target information is not provided in the Product Data for AZD1386.

  • Primary target/pathway: Not specified for this item; refer to CoA/Spec Sheet.
  • Species selectivity: Not specified for this item; refer to CoA/Spec Sheet.
  • Reported potency/affinity: Not specified for this item; refer to CoA/Spec Sheet.

Note: Aladdin Scientific supplies this compound for research use only. Do not infer biological target or selectivity without consulting authoritative, structure-confirmed literature corresponding to CAS 946080-23-5.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

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