This compound belongs to the class of organic compounds known as iodobenzenes. These are aromatic compounds containing one or more iodine atoms attached to a benzene.
External Descriptors
Not available
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.
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular
414.300 g/mol
XLogP3
3.300
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
8
Exact Mass
414.038 Da
Monoisotopic Mass
414.038 Da
Topological Polar Surface Area
92.400 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
319.000
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
Calculadoras de soluciones
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Application Protocols
No item-specific validated protocols are provided in the Product Data. The following are general best practices for handling small-molecule tool compounds in discovery workflows.
Preparation of stock solutions (general)
Dissolve in anhydrous DMSO to 10–50 mM. Vortex and, if needed, sonicate briefly. Filter through 0.22 µm PTFE for sterile applications.
Working solution preparation
Dilute DMSO stock into assay buffer or medium to target concentrations, keeping final DMSO ≤0.5–1% v/v. Add stock slowly with vigorous mixing to prevent precipitation.
Dose–response assays
Prepare serial dilutions (e.g., 1:3 or 1:2) across 8–12 points. Include vehicle control and positive/negative controls relevant to your assay platform.
Storage of solutions
Aliquot stocks to minimize freeze–thaw. Store tightly sealed, desiccated, and protected from light if the compound is light sensitive (check SDS/CoA).
Documentation
Record lot number, preparation date, solvent, concentration, and dilution scheme. Verify concentration by UV or LC if your method supports it.
These steps are general guidance and not validated for this specific item. Adapt to your SOPs and assay requirements.
Biological Roles
Contextual biological information (literature-level; not item-specific specifications):
Histamine H3 receptor tool compound
Iodophenpropit is widely cited in the literature as a ligand/antagonist at the histamine H3 receptor, a presynaptic GPCR that modulates neurotransmitter release (e.g., histamine, acetylcholine, dopamine) in the central nervous system. Such compounds are used to interrogate receptor function, signaling bias, and distribution.
Typical research applications
Receptor binding assays (radioligand competition or saturation analyses) to determine Ki and assess selectivity across histamine receptor subtypes (H1–H4).
Cellular second-messenger readouts (e.g., cAMP accumulation, calcium mobilization via chimeric G-proteins, β-arrestin recruitment) to characterize functional antagonism or inverse agonism.
Chemogenomic screens and structure–activity relationship (SAR) efforts to refine binding affinity and selectivity.
Pharmacological characterization considerations
Establish on-target activity using counter-screens (e.g., H1/H2/H4) and off-target panels if needed.
Control for nonspecific binding and potential aggregation, especially at high micromolar concentrations.
Validate using orthogonal assay formats (binding + functional) to mitigate assay-specific artifacts.
Important notes
No medical or clinical claims are made. This compound is intended strictly for research use, as stated in the Product Data.
For definitive potency/selectivity values applicable to your batch or protocol, consult primary literature and confirm experimentally under your assay conditions.
Buffer Applications
This product is a small-molecule research compound and is not itself a buffering agent.
Applicability
Not typically used to prepare buffer systems or as a pH stabilizer.
Practical note for assay buffers (general)
When using the compound in biochemical or cell-based assays, prepare assay-compatible buffers (e.g., PBS, HBSS, HEPES-buffered saline) and introduce the compound from a DMSO stock to a final DMSO content typically ≤0.5–1% v/v.
Include appropriate carrier protein (e.g., 0.1% BSA) or minimal surfactant (e.g., 0.01% polysorbate-20) if required to maintain solubility and reduce nonspecific adsorption to plastics.
For buffer recipes, pKa ranges, or ionic strength guidance, refer to standard buffer resources; these are not specific to this item.
Green Alternatives
Green chemistry considerations for handling and dissolving a hydrophobic small molecule.
Scope
The compound itself is fixed; greener choices typically involve solvent selection and waste minimization.
Solvent choices (general, not item-specific)
Prefer DMSO over DMF/NMP where feasible due to lower regulatory concern and better toxicological profile.
Where alcohols are adequate, ethanol (renewable feedstock options) can reduce reliance on aprotic dipolar solvents.
Process considerations
Minimize stock solution volume via higher-concentration DMSO stocks to reduce solvent waste.
Use microscale assay formats (96/384/1536-well) to limit overall chemical use.
Implement closed-vial dilution schemes and solvent capture to reduce VOC emissions.
Small comparison (contextual)
DMSO vs DMF: DMSO offers similar solvency with improved operator safety and environmental profile; DMF may be required for exceptionally lipophilic analytes but carries stricter handling controls.
Ethanol vs isopropanol: Both greener than many aprotic solvents; ethanol often preferred for biocompatibility but may give lower solubility.
Waste management
Segregate halogenated organic waste streams when iodinated organics are present.
Explore on-plate quench/neutralization and miniturization to reduce hazardous waste volumes.
These recommendations are general. Select solvents and controls that meet your assay performance and EHS requirements.
Pharmaceutical Uses
This compound is provided for research use only and is not supplied with pharmacopeial certification.
Intended use (from Product Data)
For research use only.
Formulation context (general guidance for lab studies)
Stock solutions are commonly prepared in DMSO for in vitro studies; for in vivo exploratory research, formulate per institutional approvals and verify excipient compatibility independently.
No excipient status, dosage form role, or monograph assignment is provided for this product.
Regulatory status
No USP/EP/JP monograph or GMP-grade designation is provided in the Product Data for SKU I668795.
Suitability notes
Not for human or veterinary use. Not for diagnostic procedures.
If using as an internal standard or reference material in analytical methods, document lot-specific purity and identity from the CoA.
For any preclinical formulation development or GLP/GMP applications, a different sourcing route and full regulatory package would be required; this listing does not include such documentation.
Physical Properties
Item-specific physical constants are not provided in the Product Data for SKU I668795.
Item-specific (from Product Data)
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
Literature/general expectations for small-molecule H3 ligands (context only; not specifications)
Aggregated reports for iodinated aryl small molecules suggest solid state at ambient conditions with limited aqueous solubility and improved solubility in polar aprotic organics (e.g., DMSO, DMF) and alcohols. Exact bp/mp, density, refractive index, logP, and pKa must be confirmed for this specific product/batch.
Solubility handling guidance (general practice, not specifications)
Prepare concentrated stocks in anhydrous DMSO (e.g., 10–50 mM), then dilute into buffer or medium with vigorous mixing to minimize precipitation.
Consider cosolvent systems (DMSO:water, DMSO:PBS, or DMSO:HBSS) at ≤0.5–1% final DMSO for biochemical/cellular assays.
Properties explicitly not available here
Melting point, boiling point, density, pKa/logP, UV–Vis cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Always rely on the batch CoA/SDS for decisive physical property values used in QC or method validation.
Quality and Grades
Quality notes for SKU I668795.
Item-specific grade/purity and stabilizers
Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
Stabilizers/Inhibitors: Not specified for this item; refer to CoA/Spec Sheet.
How to interpret common grades (general guidance for small-molecule research compounds)
Research/Biological screening grade: Typically accompanied by NMR/LC–MS purity, and occasionally water/volatile content by KF/GC. Suitable for discovery biology and target engagement assays.
Analytical grade: Emphasis on chemical purity and assay suitability; often includes UV-Vis background and trace metal checks when relevant to application.
HPLC grade (solvents) vs compound purity: Note that “HPLC grade” refers to solvents; for solids, report % purity by HPLC/UPLC or qNMR. Verify which metric applies on the CoA.
Documentation to request/use
Batch CoA: Purity method (HPLC/qNMR), chromatograms, assay conditions, residual solvents, and water content if available.
For SAR/biology: Confirm lot purity ≥ assay requirement (e.g., ≥95% by HPLC) and identity by MS/NMR.
For analytical reference use: Confirm trace impurity profile and retention time index under your method.
If specific numeric specifications are required by your SOP, rely on the batch CoA; do not substitute literature values.
Reaction and Applications
This product is supplied as a research small molecule for biological and screening workflows and is not typically employed as a general-purpose synthetic reagent.
Item-specific manufacturer applications: Not specified in Product Data.
General research use note (from Product Data)
For research use only.
Contextual (literature-level) applications of compounds in this class
Iodinated aryl histamine H3 ligands such as iodophenpropit are commonly used as tool compounds in receptor-binding studies, pharmacology assays, and target engagement profiling. Their high-affinity binding enables tracer/competitor paradigms and SAR benchmarking.
If using in chemistry workflows (general guidance)
Because aryl iodides can, in principle, participate in cross-coupling (e.g., Suzuki, Sonogashira), some researchers adapt related scaffolds for probe derivatization. Such applications should be validated independently; this catalog item is not specified for synthetic use.
Practical notes for bioassays (general)
Confirm identity/purity by LC–MS/HPLC prior to dose–response studies.
Establish solubility limits by serial dilution with visual/turbidimetric checks to avoid aggregate-driven artifacts.
Document lot number and preparation history to ensure reproducibility.
Reaction Conditions
Not typically applicable. This product is not sold as a synthetic reagent, and the Product Data do not include any reaction-condition guidance.
If using for derivatization (general literature context only)
Aryl iodides, in general, participate in cross-coupling under Pd catalysis at 20–80 °C in solvents such as toluene, dioxane, DMF, or mixtures with water, using bases like K2CO3, Cs2CO3, or NaOtBu. Reaction times typically range 1–16 h depending on substrate and catalyst. These notes are generic and not specific to this item and should not be construed as specifications.
For biological assays
Conditions relate to assay buffers and dosing schemes rather than chemical reactions. Establish concentration ranges empirically via dose–response curves and ensure solvent tolerability.
Refer to the batch CoA and peer-reviewed literature for any structure-specific chemistry; none is provided in the Product Data.
Safety and Handling
Safety summary for professional laboratories. Item-specific GHS details are not supplied in the Product Data and must be obtained from the SDS.
Item-specific safety data
Signal word / H-statements / GHS classification / Pictograms: Not specified for this item; refer to SDS.
General laboratory precautions (good practice)
Wear appropriate PPE: lab coat, safety glasses, and disposable nitrile gloves. Use in a chemical fume hood to avoid inhalation of dust/aerosol.
Avoid skin/eye contact and ingestion. Wash thoroughly after handling. Prevent release to the environment.
For solid small molecules, minimize dust generation; for solutions, cap tightly to limit volatilization/contamination.
Storage incompatibilities (generic guidance)
Separate from strong oxidizers and strong acids/bases unless compatibility is confirmed by SDS.
Protect from excessive heat and direct sunlight. Avoid prolonged exposure to air/humidity if the compound is moisture-sensitive (check CoA/SDS).
First-aid (overview; defer to SDS)
Eye/Skin contact: Rinse with water for ≥15 min; remove contaminated clothing. Seek medical attention if irritation persists.
Inhalation: Move to fresh air; seek medical attention if symptoms occur.
Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.
Spill & disposal (general)
Contain solids with dampened disposable towels or HEPA vacuum; adsorb solutions with inert material. Dispose per institutional and local regulations.
Always consult the product SDS for authoritative hazard classification and response measures.
Solvent Selection
Solvent guidance for preparing working solutions of a hydrophobic small molecule.
Item-specific solubility: Not specified for this item; refer to CoA/Spec Sheet.
General solvent strategy (for similar iodinated aryl ligands)
Primary stock solvent: Anhydrous DMSO due to strong solvating power for aromatic and basic compounds.
Secondary solvents: DMF, ethanol, or isopropanol can be used as co-solvents depending on assay tolerance.
Aqueous systems: Dilute DMSO stocks into buffer (e.g., PBS, HBSS, assay buffer) with vigorous mixing and/or surfactant (≤0.01% polysorbate-20) if your assay permits.
Polarity considerations (general)
Likely moderate-to-high lipophilicity due to aryl iodide; anticipate poor water solubility without co-solvent.
At physiological pH, basic centers (if present) may partially protonate, modestly improving apparent solubility in buffered systems.
Practical tips
Prepare 10–50 mM DMSO master stocks; filter-sterilize through 0.22 µm PTFE if required by cell-based assays.
Keep final DMSO in biological assays ≤0.5–1% v/v to minimize solvent effects.
For precipitation upon dilution: add stock slowly to vigorously agitated buffer, or pre-warm buffer to 37 °C.
DMF: strong solvency; evaluate cytotoxicity and extractables.
Ethanol: moderate solvency; higher assay tolerance but may be insufficient alone for hydrophobic solids.
Storage and Reconstitution
Storage and handling guidance based on Product Data and general best practices.
Item-specific storage (from Product Data)
Storage Conditions: Room temperature.
Shipped in: Not specified for this item; refer to CoA/Spec Sheet.
Solid handling (general)
Keep container tightly closed in a dry place. Protect from excessive heat, moisture, and direct light. If hygroscopic or light sensitive (check CoA/SDS), store with desiccant and in amber vials.
Reconstitution (general guidance; not item-specific specs)
Prepare a concentrated stock in anhydrous DMSO (e.g., 10–50 mM). Vortex to dissolve; brief sonication may help. If required for sterile work, pass through a 0.22 µm PTFE filter.
For aqueous use, dilute the DMSO stock into buffer or medium with vigorous mixing. Keep final DMSO ≤0.5–1% in biological assays unless otherwise validated.
Aliquoting and stability
Aliquot stock solutions to single-use vials to minimize freeze–thaw and headspace exposure. Store aliquots at −20 °C or −80 °C if longer-term solution stability is needed (verify stability experimentally for your system).
Specifications not provided
Appearance, exact solubility, hygroscopicity/light sensitivity, and solution stability: Not specified for this item; refer to CoA/Spec Sheet.
Always defer to the batch-specific CoA and SDS for authoritative storage and handling instructions.
Structure and Identity
Brief overview: Iodophenpropit is cataloged as a small-molecule research compound. Limited item-specific structural data are provided for this SKU; consult the CoA/Spec Sheet for definitive identifiers.
Item-specific (from Product Data)
CAS: 145196-88-9
CID: 3035746
InChIKey: 355385 (as provided)
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.
Literature/general information (for context; verify against CoA for this item)
Iodophenpropit is widely referenced in the literature as a histamine H3 receptor ligand/antagonist used as a research tool. Specific structural depictions commonly feature an aryl iodide motif and a basic heteroaromatic/amine pharmacophore separated by a short alkyl linker; however, exact stereochemistry and substituent pattern must be confirmed from the product’s CoA.
Structural features (descriptive, literature-level, not item-specific specs)
Functional groups typically associated with this scaffold include: aryl iodide, tertiary/secondary amine or heteroaromatic base (e.g., imidazole-like), and a propyl linker. These features support high receptor affinity via π–π and ionic/ H-bond interactions in biotarget binding pockets.
Note: Where definitive identifiers (SMILES, formula, MW, full InChIKey) are required for method validation, please refer to the batch-specific CoA/SDS.
Synthetic Utility
Primary use: This SKU is offered as a research tool compound, not a general synthetic reagent.
Applicability to synthesis
Not typically employed as a building block. Any use as a synthetic intermediate (e.g., leveraging an aryl iodide handle for cross-coupling) would be outside the intended scope and requires independent feasibility and impurity-risk assessment.
If derivatization is contemplated (general considerations)
Aryl iodides (in general) can undergo Pd-catalyzed coupling (Suzuki–Miyaura, Sonogashira, Buchwald–Hartwig) under mild conditions. However, functional-group compatibility, protecting-group strategies (for basic heterocycles/amines), and scale-up safety must be validated for the specific structure.
Probe development may require linker installation, isotopic labeling, or reporter conjugation; ensure that modifications do not abrogate target affinity.
Documentation
No item-specific reactivity profile, catalytic conditions, or coupling performance data are provided here; consult primary literature if synthetic derivatization is required.
Conclusion: Treat this product primarily as a characterized bioactive small molecule for screening and mechanism studies rather than as a synthetic reagent.
Target Specificity
Item-specific target details are not provided in the Product Data for SKU I668795.
Provided data
Target/epitope/antigen: Not specified for this item; refer to CoA/Spec Sheet.
Species selectivity: Not specified for this item; refer to CoA/Spec Sheet.
Assay-validated applications: Not specified for this item; refer to CoA/Spec Sheet.
Literature context (informative only; verify independently)
Compounds under the name iodophenpropit are described as histamine H3 receptor ligands/antagonists used for receptor characterization. Actual potency/selectivity values and species cross-reactivity must be determined under your experimental conditions and are not provided for this SKU.
Please consult your own assay data and the batch CoA for definitive target specificity.
Preguntas frecuentes
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 145196-88-9, the molecular formula is C15H19IN4S, and the molecular weight is 414.3 g/mol. InChIKey UBHYDQAARZKHEZ-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
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