[³H]apafant - Moligand™ , Antagonist of PAF receptor, CAS No.H614057, Antagonist of PAF receptor

CAS: H614057 Cat. No.: H614057 PubChem CID: 65889

GRADE & PURITY Moligand™

Synonyms

DTXCID5028900 | HMS3268N16 | NCGC00092377-04 | PDSP1_000669 | 4-[3-[4[(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a]diazepin-2-yl]-1-oxopropyl]]morpholine | BDBM50000714 | DTXSID5048974 | MS-28313 | L001111 | 3-[7-(2-chlorophenyl)-13-met

Storage

Room temperature

Specifications

Sinonimi

DTXCID5028900 | HMS3268N16 | NCGC00092377-04 | PDSP1_000669 | 4-[3-[4[(2-Chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a]diazepin-2-yl]-1-oxopropyl]]morpholine | BDBM50000714 | DTXSID5048974 | MS-28313 | L001111 | 3-[7-(2-chlorophenyl)-13-met

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of PAF receptor

Nomi e identificatori

• Sorrisi canonici: O=C(N1CCOCC1)CCc1sc2c(c1)C(=NCc1n2c(C)nn1)c1ccccc1Cl
• IUPAC Name: 3-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-(morpholin-4-yl)propan-1-one
• InChIKey: JGPJQFOROWSRRS-UHFFFAOYSA-N
• INCHI: 1S/C22H22ClN5O2S/c1-14-25-26-19-13-24-21(16-4-2-3-5-18(16)23)17-12-15(31-22(17)28(14)19)6-7-20(29)27-8-10-30-11-9-27/h2-5,12H,6-11,13H2,1H3
• Isomeri SMILES: CC1=NN=C2N1C3=C(C=C(S3)CCC(=O)N4CCOCC4)C(=NC2)C5=CC=CC=C5Cl
• PubChem CID: 65889

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thienodiazepines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thienodiazepines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienodiazepines
• Alternative Parents: 2,3,5-trisubstituted thiophenes 1,4-diazepines Chlorobenzenes Aryl chlorides Morpholines Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thieno-para-diazepine - 2,3,5-trisubstituted thiophene - Para-diazepine - Halobenzene - Chlorobenzene - Morpholine - Oxazinane - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiophene - Azole - 1,2,4-triazole - Heteroaromatic compound - Ketimine - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Imine - Carbonyl group - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
• 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

Obiettivi associati (umani)

PTAFR Tchem Platelet-activating factor receptor (3 Activities)

Discover Target: PTAFR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

Discover Target: ADRB2

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

Discover Target: ADRA2A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

Discover Target: AGTR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTAFR Tchem Platelet activating factor receptor (2575 Activities)

Discover Target: PTAFR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

Discover Target: S1PR1

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CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

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C5AR1 Tclin C5a anaphylatoxin chemotactic receptor (2677 Activities)

Discover Target: C5AR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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Homo sapiens (32628 Activities)

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U2OS (164939 Activities)

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CX3CR1 Tchem C-X3-C chemokine receptor 1 (1686 Activities)

Discover Target: CX3CR1

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FPR2 Tchem Lipoxin A4 receptor (3472 Activities)

Discover Target: FPR2

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FFAR4 Tchem G-protein coupled receptor 120 (2999 Activities)

Discover Target: FFAR4

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BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)

Discover Target: BRD4

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GPR35 Tchem G-protein coupled receptor 35 (2643 Activities)

Discover Target: GPR35

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TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)

Discover Target: TRIM24

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BRPF1 Tchem Peregrin (2217 Activities)

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HEK-293T (167025 Activities)

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Obiettivi associati (non umani)

Aplnr Apelin receptor (201 Activities)

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Abcb1b P-glycoprotein 1 (174 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

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Abcb1a P-glycoprotein 3 (492 Activities)

Discover Target: Abcb1a

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Cavia porcellus (23802 Activities)

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Canis familiaris (36305 Activities)

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Oryctolagus cuniculus (11301 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Gpr119 Glucose-dependent insulinotropic receptor (270 Activities)

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SARS-CoV-2 (38078 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 456.000 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 455.118 Da
• Monoisotopic Mass: 455.118 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 691.000
• 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

Application protocols must come from product-specific validation. None were provided in the Product Data for SKU H614057.

• Tested applications and recommended dilutions: Not specified for this item; refer to CoA/Spec Sheet.
• Positive controls/standards: Not specified for this item; refer to CoA/Spec Sheet.

General guidance: Use the Reaction & Applications and Buffer Applications tabs for literature-based setup considerations. Always pilot-test conditions with your receptor source before full studies.

Biological Roles

General, literature-based context for the apafant target system (no medical claims).

• Target pathway

  • Platelet‑activating factor (PAF; 1‑O‑alkyl‑2‑acetyl‑sn‑glycero‑3‑phosphocholine) is a potent phospholipid mediator acting via the PAF receptor (PAFR/PTAFR), a class A GPCR.
  • PAFR activation influences platelet aggregation, leukocyte activation, vascular permeability, and inflammatory signaling cascades (e.g., Gq/PLCβ/IP3–Ca2+ pathways), as well as Gi/o‑linked pathways affecting adenylyl cyclase.

• Role of apafant (ligand class)

  • Apafant is a well‑characterized competitive antagonist of PAFR used to interrogate PAF‑dependent signaling. The tritiated form, [³H]apafant, serves as a high‑specific‑activity tracer for quantifying receptor density and ligand affinities in membranes, cells, and tissue fractions.

• Experimental implications

  • Radioligand binding with [³H]apafant enables determination of Kd/Bmax and structure–activity relationships for PAFR modulators under near‑physiological ionic strength and temperature.
  • Because PAFR is expressed in multiple immune and vascular cell types, membrane source and receptor expression levels strongly influence apparent binding parameters; standardize protein content and confirm receptor expression by orthogonal methods (e.g., qPCR, immunoblot for PAFR).

• Limitations and controls

  • Include high concentrations of unlabeled apafant or another high‑affinity antagonist to define nonspecific binding. Validate that signal is PAFR‑dependent using PAFR‑null controls where possible.

Buffer Applications

This product is not a classical buffering agent. However, radioligand binding assays require well‑defined buffer systems. The following are general, literature‑based suggestions; adjust to your preparation and validate in your lab.

• Common binding buffers (examples)

  • HEPES buffer: 25–50 mM HEPES, 120–150 mM NaCl, pH 7.4; optional 1 mM CaCl2/MgCl2 depending on receptor prep; 0.1% fatty‑acid‑free BSA to reduce nonspecific binding.
  • Tris buffer: 50 mM Tris‑HCl, 2–5 mM MgCl2, 100–150 mM NaCl, pH 7.4; BSA as above. Maintain constant ionic strength to stabilize GPCR–G protein interactions in membrane assays.

• Additives and handling

  • Include protease inhibitors for crude membranes; 0.01–0.05% Tween‑20 can reduce sticking to plastics (verify it does not alter binding).
  • Pre‑equilibrate buffers to assay temperature and degas gently to minimize bubble formation during vacuum filtration.

• Not item-specific

  • The supplied solvent/vehicle and any stabilizers for [³H]apafant are not specified; consult the CoA before buffer dilutions to ensure compatibility.

Green Alternatives

While ³H radioligands offer exceptional sensitivity and quantitative rigor, greener or nonradioactive modalities can reduce radioactive waste and compliance burdens. Selection depends on the receptor system and assay goals.

• Alternative modalities (general)

  • Fluorescent ligands or fluorescence polarization/anisotropy assays: no radioactivity, rapid readout; may suffer from photobleaching or altered ligand pharmacology due to bulky tags.
  • BRET/FRET biosensors: real‑time, live‑cell readouts; require genetic constructs and careful controls for expression artifacts.
  • Label‑free methods (SPR, BLI, impedance): direct binding kinetics without labels; may need purified receptor or specialized sensor surfaces.
  • Mass‑spectrometry–based ligand binding (MS Binding/DELFIA variants): high specificity; instrumentation‑intensive.

• Tradeoff summary

  • Sensitivity: ³H radioligands typically deliver very low detection limits; fluorescent/readout alternatives may need higher receptor/labeled ligand levels.
  • Waste/ESG: Nonradioactive approaches eliminate radiological waste and regulatory controls but may increase plastic/chemical consumption elsewhere.
  • Data type: Radioligands excel at equilibrium and competition binding; label‑free methods provide rich kinetic data but can be harder to implement for GPCRs in native membranes.

• Practical pathway

  • Use [³H]apafant for initial high‑confidence pharmacology. Consider orthogonal confirmation with a nonradioactive method to reduce radioactive use and strengthen structure–activity conclusions.

Pharmaceutical Uses

No therapeutic or clinical claims are made for this product. For research use only (from Product Data).

• Typical roles in pharmaceutical R&D (general)

  • Reference radioligand for PAF receptor target validation, SAR, and hit‑to‑lead optimization using competition binding to rank compound affinity.
  • Tool compound for receptor occupancy studies in ex vivo tissues or membrane preparations.
  • Radiometric tracer to support ADME‑relevant assays such as plasma protein binding or microsomal binding when appropriate to the program (with method adaptation).

• Standards and compendia

  • No pharmacopeial monograph is implied by the Product Data. Any use in regulated contexts requires internal qualification and method validation.

• Formulation context

  • Not used as an excipient. Assay vehicles and stabilizers for this radioligand (if present) must be taken from the CoA/SDS and accounted for in method blanks and controls.

Physical Properties

Item-specific physicochemical specifications were not provided. The following notes distinguish between item data and general/literature context.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular formula / MW: Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point, melting point, density, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility (general, literature context for radioligands of small PAFR antagonists)
  • Often provided in ethanol, aqueous ethanol, or buffer with carrier (e.g., 0.1% BSA) for binding assays. Exact solvent system for this item is not specified.
• LogP, pKa (literature context)
  • PAFR antagonists are typically moderately lipophilic with at least one basic or polar center to engage the receptor pocket; exact values for apafant and for this radiolabeled lot are not specified here.
• Radioisotope characteristics (general for ³H)
  • ³H (tritium) is a low-energy beta emitter (Emax ≈ 18.6 keV; mean ≈ 5.7 keV; literature). Range in water ~6 µm (literature). External exposure risk is low; internal contamination is the primary hazard.

For any quantitative property (specific activity, radiochemical purity, stabilizers, solvent, concentration), consult the item’s CoA/Spec Sheet and SDS.

Quality and Grades

• Supplied Grade (from Product Data)

  • Grade/Purity: Moligand™.

• What Moligand™ implies (general description)

  • Moligand™ designates a screening/assay‑ready ligand format suitable for receptor pharmacology, affinity binding, and displacement studies. For radiolabeled ligands, key quality attributes typically include radiochemical purity, specific activity, chemical purity of the parent ligand, identity confirmation, and solvent system. These attributes determine quantitative performance in saturation and competition binding assays.

• Item-specific quality attributes

  • Specific activity (Ci/mmol or GBq/mmol), radiochemical purity (% by HPLC/TLC), solvent/vehicle, stabilizers, and concentration: Not specified for this item; refer to CoA/Spec Sheet.
  • Appearance and lot documentation: Not specified for this item; refer to CoA/Spec Sheet.

• Practical implications for assay setup

  • Verify effective specific activity on receipt (correct for decay if applicable) and confirm radiochemical purity by the recommended QC method (e.g., radio‑HPLC).
  • Use carrier protein (e.g., 0.1% BSA) and low‑adsorption plastics to minimize nonspecific binding. Document any stabilizers present, as they may affect background.

• Compliance and documentation

  • For research use only (from Product Data). Not for human or veterinary use. Retain CoA/SDS for your records and method validation.

Reaction and Applications

As a tritiated receptor ligand, [³H]apafant is intended for radioligand binding and receptor pharmacology rather than synthetic transformations.

• Primary applications (literature/general)

  • Saturation binding to determine Kd and Bmax for PAF receptors in membrane preparations or intact cells.
  • Competition binding to quantify Ki/IC50 values of unlabeled test compounds at PAFR.
  • Kinetic binding assays (kon/koff) using time‑course designs and rapid filtration or scintillation proximity assays (SPA).
  • Tissue distribution/receptor density studies in fractionated samples.

• Experimental tips

  • Keep total radioligand occupancy below ~10% of total receptor to maintain tracer conditions (literature guidance). Adjust radioligand concentration relative to expected Kd.
  • Minimize nonspecific binding using 0.1% BSA, excess unlabeled high‑affinity ligand to define nonspecific signal, and rapid cold washes for filtration assays.
  • Validate linearity of signal with protein amount and time; confirm equilibrium prior to measuring saturation.
  • Control for radiolysis by limiting freeze–thaw cycles and exposure to light/heat; add antioxidants if supplier recommends.

• Not typically applicable

  • Named organic reactions, catalysis, and synthetic coupling chemistry are not relevant to this product’s intended use.

Reaction Conditions

Classical organic reaction conditions are not applicable. The following summarizes general, literature-based assay conditions for radioligand binding with [³H] small‑molecule antagonists; optimize for your system.

• Saturation binding (example workflow)

  • Prepare membranes (e.g., 10–50 µg protein per well/tube). Incubate with a range of [³H]apafant concentrations spanning ~0.1× to 10× the expected Kd in assay buffer (e.g., HEPES or Tris with 0.1% BSA) at 25–30 °C until equilibrium (often 60–120 min; confirm by time course).
  • Define nonspecific binding with ≥1000× unlabeled apafant or another high‑affinity PAFR antagonist.
  • Separate bound/free by rapid filtration (GF/B pre‑soaked in 0.3% PEI) or by scintillation proximity assay (SPA) beads.

• Competition binding

  • Use a fixed tracer concentration near or below Kd; titrate competitors over 10–12 half‑log steps. Analyze with the Cheng–Prusoff relationship to convert IC50 to Ki (ensure appropriate model for competitive binding).

• Kinetics (optional)

  • Association: monitor binding at multiple times; fit to kobs vs ligand concentration to extract kon and koff.
  • Dissociation: initiate with excess unlabeled ligand and follow decay of specific binding.

• Data quality controls

  • Maintain tracer occupancy <10% of Bmax, include replicate blanks, and verify linearity with protein concentration.

Note: No item-specific concentrations, specific activity, or radiochemical purity were provided; consult the CoA to set actual working ranges.

Safety and Handling

Always handle radiochemicals under institutional radiation safety procedures. The Product Data do not include specific GHS classifications; defer to the SDS and local radiation safety manuals.

• GHS and hazard information (from Product Data)

  • Signal Word: Not specified for this item; refer to SDS.
  • H‑Statements: Not specified for this item; refer to SDS.
  • GHS Classification and Pictograms: Not specified for this item; refer to SDS.

• Radiation safety (general for ³H radioligands)

  • ³H is a low‑energy beta emitter; external exposure is minimal, but ingestion, inhalation, or skin absorption can produce internal dose.
  • Use designated radioisotope work areas with contamination controls, absorbent bench pads, and appropriate shielding (plexiglass/acrylic is sufficient; heavy shielding not required).
  • Monitor work surfaces and PPE with wipe tests/liquid scintillation counting (LSC).
  • Collect liquid and solid radioactive wastes in properly labeled containers; segregate according to activity and physical form.

• Chemical handling

  • Avoid aerosol generation; keep containers tightly closed. Work in a fume hood or ventilated enclosure when diluting or aliquoting.
  • Typical PPE: lab coat, safety glasses, and disposable double gloves (change outer gloves frequently). Consider dosimetry/badges if required by your RSO.

• Incompatibilities and stability (general)

  • Radiolysis can be promoted by heat and light; minimize light exposure and avoid elevated temperatures. Use antioxidant carriers when recommended by the supplier.

• First-aid (overview; defer to SDS)

  • Skin/eye contact: Rinse with water. Remove contaminated clothing.
  • Inhalation/ingestion: Seek medical attention per institutional radiation protocols. Notify Radiation Safety immediately.

Authoritative safety information resides in the SDS and your institutional radiation safety program.

Solvent Selection

This product is a radiolabeled ligand rather than a bulk reaction solvent. Item-specific vehicle/solvent was not provided.

• Item-specific vehicle

  • Not specified for this item; refer to CoA/Spec Sheet (common vehicles for tritiated ligands include ethanol, aqueous ethanol, or buffered saline with carrier protein).

• Practical guidance (general for ³H small‑molecule ligands)

  • Stock handling: Maintain the supplied vehicle; if dilution is needed, match polarity to prevent precipitation (e.g., dilute ethanolic stocks into assay buffer with gentle mixing).
  • Adsorption losses: Use low‑binding tubes and precondition plasticware with assay buffer containing 0.1% BSA when compatible with the assay.
  • Volatility: ³H‑labeled small molecules are generally nonvolatile, but avoid evaporative concentration changes by working promptly with capped vials.
  • Compatibility: Typical binding assay buffers include HEPES or Tris, 100–150 mM NaCl, Mg2+/Ca2+ as required by receptor prep; include protease inhibitors for membrane assays if needed.

• Choosing alternatives

  • If fluorescence or chemiluminescence detection is preferred, consider nonradioactive labeled ligands (fluorophore‑tagged analogs) or label‑free technologies (SPR/BLI). Tradeoffs include sensitivity, receptor perturbation by tags, and equipment requirements.

Storage and Reconstitution

• Storage (from Product Data)

  • Storage Conditions: Room temperature.
  • Shipped In: Not specified for this item; refer to CoA/Spec Sheet.

• General handling for radiolabeled ligands (literature/practice)

  • Protect from light to mitigate radiolysis. Keep tightly capped to avoid evaporation and adsorption losses. Use low‑adsorption vials.
  • If supplied in ethanol or mixed solvent, maintain the same vehicle for stocks. For working solutions, dilute into assay buffer immediately before use. Avoid repeated freeze–thaw of aliquots; instead, prepare single‑use aliquots if freezing is permitted by the CoA.
  • Track activity with decay correction as appropriate for ³H.

• Reconstitution

  • Appearance, solvent system, and any need for reconstitution are not specified for this item; refer to CoA/Spec Sheet for exact instructions. If dry material is supplied (rare for ³H ligands), reconstitute with the recommended solvent under shielded conditions and record final activity and concentration.

• Stability

  • Item-specific shelf life, stabilizers, and radiochemical purity over time are not specified; verify by the supplier-recommended QC method (e.g., radio‑HPLC/TLC) at receipt and periodically during use.

Always follow your institutional radiation safety policies and the SDS for authoritative handling and storage guidance.

Structure and Identity

Brief overview: [³H]apafant is a tritiated small‑molecule ligand corresponding to the PAF (platelet‑activating factor) receptor antagonist apafant; the tritium (³H) isotope enables high‑sensitivity radioligand assays. Item-specific identifiers are limited in the Product Data.

• Item identifiers (from Product Data)

  • SKU: H614057
  • Product Name: [³H]apafant
  • CAS: H614057 (as listed in Product Data)
  • PubChem CID: 65889 (assigned to apafant parent in PubChem; literature identifier)
  • InChIKey: 159910 (as provided; note: format appears non-standard)
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.

• Molecular formula and molecular weight

  • Not specified for this item; refer to CoA/Spec Sheet.
  • Note: Radiolabeled [³H] derivatives incorporate one or more tritium atoms in place of protium; exact labeling position(s) and specific activity are item-specific (not provided here).

• Structural features (general, literature-based for apafant parent)

  • Small-molecule, non-peptidic antagonist of the PAF receptor (PAFR/PTAFR), designed to mimic/antagonize the alkyl-acetyl-glycerophosphocholine signaling of PAF.
  • Contains multiple heteroatoms (typical H‑bond acceptors) consistent with high-affinity GPCR ligand chemotypes; exact functional group pattern and labeling positions should be verified on the item CoA.

• 2D structure description (general)

  • Compact, aromatic/heteroaromatic pharmacophore with basic/neutral heterocycles often used in PAFR ligands; tritium substitution does not alter valency but serves as a beta-emitting tracer.

Clearly distinguish: Any exact atom-level structure (labeling site, isomerism) must be confirmed from the supplied batch documentation (CoA/SDS).

Synthetic Utility

This is a radiolabeled receptor ligand rather than a synthetic building block.

• Not typically applicable

  • It is not commonly employed as a reagent, catalyst, or intermediate in organic synthesis. The presence of tritium requires specialized radiochemical facilities and is incompatible with most scale‑up synthetic workflows.

• When it is used chemically (limited, general)

  • In tracer studies, ³H‑labeled small molecules can be used to track distribution or recovery through complex sample preparation or chromatographic purification, aiding mass‑balance assessments.

• Recommendation

  • For synthetic transformations targeting apafant analogs, work with unlabeled material. Introduce tritium only in the final step under controlled radiochemistry protocols, or source the radioligand as supplied (as here).

Target Specificity

Only item-specific target data may be listed here. The Product Data do not provide target/assay validations for this SKU.

• Target, epitope/ligand site, species reactivity, clone/isotype: Not specified for this item; refer to CoA/Spec Sheet.

General note: In literature, apafant is described as an antagonist at the platelet‑activating factor receptor (PAFR). Confirm that this radioligand batch has been validated for your species/preparation before critical experiments.