GRAU & PUREZAMoligand™?Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
This compound belongs to the class of organic compounds known as purine ribonucleoside polyphosphates. These are purine ribobucleotides with polyphosphate (with 4 or more phosphate) group linked to the ribose moiety.
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.
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Application Protocols
No tested application protocols are provided in the Product Data for this item.
General, literature-informed starting points for small-molecule ligand tools (not specific to this item):
Stock preparation: Dissolve in ultrapure water to a defined molarity based on CoA molecular weight and hydration state. Adjust pH to ~7.0–7.4 if needed. Sterile-filter (0.22 µm) and aliquot.
Biochemical binding assay (example framework):
Buffer: 20–50 mM HEPES, 100–150 mM NaCl, pH 7.4; 0.01% Tween-20 to reduce nonspecific binding.
Titrate ligand (serial dilutions) against target protein; detect by fluorescence polarization, ITC, or competition against a labeled tracer.
Cell-based assay considerations: Delivery of highly charged ligands may require permeabilization, transporter systems, or microinjection. Include vehicle controls and verify intracellular concentrations if feasible.
Analytical QC: Verify identity/purity pre-use by LC–MS or anion-exchange HPLC; quantify concentration by 31P NMR or phosphate assay as appropriate.
Important: These are general templates. For this specific product, application conditions are Not specified for this item; refer to CoA/Spec Sheet and adapt to your biological system.
Biological Roles
Item-specific biological/target information: Not specified for this item; refer to CoA/Spec Sheet.
Literature/general context (not a claim for this specific item):
Inositol polyphosphates (InsPₓ) are ubiquitous signaling metabolites in eukaryotes, regulating processes such as mRNA export, vesicle trafficking, chromatin remodeling, and ion channel modulation via multivalent electrostatic interactions with protein domains (e.g., PH, SPX).
Myo‑inositol pentakisphosphate (InsP₅) and derivatives can act as cofactors or allosteric regulators for enzymes and transporters involved in phosphate homeostasis and energy metabolism.
Activated phosphate analogs (e.g., imidodiphosphate forms) are used as stable mimics of transition states or hydrolysis-resistant ligands in enzymology, enabling dissection of binding versus catalytic steps.
Due to high charge density, these molecules often localize to cytosolic/uclear compartments and interact with polycationic protein regions; cellular uptake typically requires transporters or delivery methods (electroporation, lipofection) in experimental systems.
Important: Any receptor binding or enzymatic effects reported in the literature are highly structure-specific (isomerism, substituent pattern, counterion). The exact biological role of this catalog item should be confirmed experimentally and by consulting primary literature corresponding to the precise structure documented on the CoA.
Buffer Applications
This product is not typically used as a buffering agent.
Item-specific: No buffer-system specifications are provided in the Product Data.
Literature/general: Inositol polyphosphates possess multiple acidic groups but are not designed to maintain pH and do not provide stable buffering capacity over a defined range. Instead, prepare solutions in a suitable external buffer (e.g., HEPES, Tris) tailored to your assay. Maintain ionic strength and include monovalent salts to control activity coefficients for reproducible binding interactions.
Practical tips (general):
Dissolve the compound in deionized water first, then adjust to final buffer to avoid local supersaturation with salts.
Avoid phosphate buffers if studying phosphate-sensitive enzymes or when precipitation with multivalent cations is a risk.
Filter sterilize rather than heat sterilize to prevent hydrolysis.
Green Alternatives
Perspective: Selection of Ip₅I or related inositol polyphosphate analogs is typically driven by biochemical specificity rather than process solvent choice. Nevertheless, greener handling can be implemented.
Solvent system (general):
Prefer water and biocompatible buffers over organic solvents. Aqueous media align with green chemistry principles (safer solvent, reduced VOCs).
If co-solvent is necessary, favor ethanol or glycerol over high-toxicity aprotic solvents, provided solubility and assay compatibility are maintained.
Comparison (general, literature):
| Option | Advantages | Trade-offs |
| Water/HEPES buffer | Benign, low toxicity, ideal for polyanions | Microbial growth; requires sterile filtration and preservatives for long storage |
| Water + small % ethanol | Improved wetting/dissolution, low toxicity | Potential effects on protein assays |
| DMSO co-solvent (≤5%) | Broad solubilization capability | Can affect membrane/protein function; requires controls |
Process considerations:
Room-temperature reactions/assays reduce energy use; Ip₅I-type compounds often perform at ambient conditions.
Minimize single-use plastics by preparing concentrated stocks and aliquoting.
For cleanup, use water-based rinses; avoid chlorinated solvents.
Note: The specific salt/counterion for this item is Not specified for this item; refer to CoA/Spec Sheet, which can influence solubility and the feasibility of greener solvent systems.
Pharmaceutical Uses
No pharmacopeial or excipient status is provided for this item.
Item-specific: Not specified for this item; refer to CoA/Spec Sheet.
Research-use context: Supplied for research use only. Inositol polyphosphate analogs are commonly employed as biochemical tools in discovery and mechanistic studies, not as formulation excipients.
Formulation notes for research settings (general, not clinical):
Aqueous stock solutions (e.g., 10–100 mM) can be prepared based on the exact molecular weight and hydration state; sterile-filter and store aliquots to minimize degradation and contamination.
Avoid divalent cations unless specifically required; they may induce complexation/precipitation.
Regulatory disclaimer:
Not intended for human or veterinary use, clinical diagnostics, or as an active pharmaceutical ingredient.
Physical Properties
Item-specific (Product Data):
Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
BP/MP, density, refractive index, pKa, logP, UV cutoff: Not specified for this item; refer to CoA/Spec Sheet.
Literature/general properties for inositol polyphosphate/imidodiphosphate analogs (informational only; not specifications):
Physical state: typically solid powders (often hygroscopic), isolated as sodium, potassium, or ammonium salts.
Solubility: generally freely soluble in water and aqueous buffers; sparingly soluble to insoluble in most aprotic organic solvents (MeCN, DCM, THF). Methanol or water–methanol mixtures may aid dissolution depending on counterion.
Ionization: multiple acidic phosphate groups confer high charge density; predominant species are multiply deprotonated at physiological pH.
Hygroscopicity: many polyphosphate salts are hygroscopic and deliquescent; drying under vacuum over P2O5 or in a desiccator is common prior to analytical weighing.
Thermal behavior: decomposition (phosphate dehydration/condensation) may occur before a sharp melting point; avoid prolonged heating.
Practical notes (general):
Prepare stock solutions in deionized water or appropriate buffer; adjust pH to 6.5–7.5 to maintain solubility and stability of phosphate esters.
Avoid strong acids/bases and elevated temperatures that can hydrolyze phosphate esters or imidodiphosphate linkages.
Quality and Grades
Item-specific (Product Data):
Grade/Purity: Moligand™
What Moligand™ generally implies (catalog context; not a specification):
Moligand™ denotes inclusion in a small-molecule/compound library suitable for ligand discovery, screening, and mechanistic studies. Emphasis is typically on identity confirmation and suitability for exploratory research rather than application-specific certifications (e.g., USP, GMP).
Typical documentation provided with research-use ligands includes identity verification (e.g., NMR/HRMS/LC), an assessed purity range by HPLC or LC–MS, and storage recommendations tailored to the chemotype. For this specific item, exact analytical methods and acceptance criteria are Not specified for this item; refer to CoA/Spec Sheet.
Stabilizers/inhibitors:
Any stabilizers or counterions used to enhance solid-state or solution stability are Not specified for this item; refer to CoA/Spec Sheet.
What to verify before use (best practice):
Confirm counterion, hydration state, and purity from the CoA to correctly prepare stock solutions (molarity depends on salt form/hydration).
Review chromatographic purity and residual solvent levels if the compound will be used in sensitive assays (e.g., receptor pharmacology or enzyme kinetics).
Regulatory note:
Research Use Only, as stated; not intended for human or veterinary use, diagnostics, or clinical applications.
Reaction and Applications
Item-specific manufacturer applications: Not specified in the Product Data beyond inclusion in a small-molecule/compound library.
Literature/general applications relevant to inositol pentakisphosphate/imidodiphosphate analogs (informational only):
Chemical biology tools: used as ligands or probes to interrogate phosphate-dependent signaling, phosphoinositide pathways, or purinergic receptor pharmacology in cell-free or cellular assays.
Biophysical assays: binding studies (ITC, fluorescence polarization) to proteins that recognize polyphosphate motifs; competitive displacement assays versus endogenous inositol phosphates.
Enzymology: substrates or inhibitors for kinases/phosphatases that act on inositol phosphates; evaluation of hydrolytic stability compared to native phosphates.
Synthetic/derivatization roles: imidodiphosphate/imidazolide groups (when present) function as activated phosphate donors, enabling formation of phosphoramidates or pyrophosphate linkages under mild conditions.
Practical considerations (general):
Metal ion effects: binding/chelation to Mg2+/Ca2+ can modulate protein interactions; buffer with defined metal content and use chelators (e.g., EDTA) judiciously.
Hydrolysis control: maintain pH 6.5–7.5 and low temperature for storage; avoid strong nucleophiles and prolonged exposure to alkaline media.
Quantification: UV absorbance may be weak without chromophores; use phosphate assays, anion-exchange HPLC with conductivity/UV at low nm, or LC–MS for quantitation.
Reaction Conditions
Item-specific conditions: Not specified for this item; refer to CoA/Spec Sheet.
General conditions for handling/transformations of inositol polyphosphate/activated phosphate analogs (literature guidance):
Medium: water or mixed aqueous-organic systems (water/MeOH, water/DMSO ≤10–20%). Maintain pH 6.5–7.5 for stability unless a specific reaction requires otherwise.
Temperature: 0–25 °C for stability-sensitive operations; brief exposures up to 37 °C are common in biochemical assays. Avoid prolonged heating.
Catalysis/additives: Tertiary amines (triethylamine, DIPEA) can assist in neutralization/activation steps; Mg2+ may be required in enzymatic assays but can also induce complexation—titrate carefully.
Timescales: minutes to hours for phosphoryl-transfer reactions with activated phosphate derivatives; monitor by anion-exchange HPLC or 31P NMR.
Workup/purification: desalting columns, lyophilization from water, or SAX chromatography. Avoid silica gel unless derivatized for anion exchange; strong adsorption/irreversible binding is common on neutral silica.
Assay preparation (general):
Prepare concentrated stocks (e.g., 10–50 mM in water), aliquot, and store at low temperature if required by stability; bring to assay buffer immediately before use to minimize hydrolysis.
Confirm concentration by quantitative 31P NMR with an internal standard or by inorganic phosphate assay after controlled hydrolysis.
Safety and Handling
Item-specific hazard information (from Product Data):
GHS Classification: Not specified for this item; refer to SDS.
Signal Word: Not specified for this item; refer to SDS.
H-Statements/Pictograms: Not specified for this item; refer to SDS.
General safety guidance for inositol polyphosphates and related salts (informational only; defer to SDS for authoritative instructions):
Expected hazards: low volatility, dust may cause mechanical eye/respiratory irritation; phosphate esters/salts can be irritating to skin and eyes. Some activated phosphate derivatives (e.g., imidazolides) may be more reactive and can cause sensitization or irritation upon contact.
PPE: wear lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use a dust mask or work in a fume hood when handling powders to minimize inhalation.
Handling: avoid generating dust; use antistatic measures when weighing. Dissolve with gentle stirring; avoid strong acids/bases which can promote hydrolysis. Do not mix with strong oxidizers or reducing agents without compatibility review.
First aid (overview; consult SDS):
Eye contact: rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; seek medical advice if irritation persists.
Skin contact: wash with soap and water; remove contaminated clothing.
Inhalation: move to fresh air; seek medical attention if symptoms occur.
Ingestion: rinse mouth; do not induce vomiting; seek medical advice.
Environmental: prevent release to waterways; collect spills by careful dry cleanup or wet-wipe to avoid dusting.
Fire safety: most inorganic phosphate salts are nonflammable; packaging/organic counterions may burn. Use water spray, CO2, or dry chemical as appropriate.
Solvent Selection
Item-specific solvent behavior: Not specified for this item; refer to CoA/Spec Sheet for solubility notes.
Literature/general guidance for inositol polyphosphate/imidodiphosphate analogs:
Polarity class: highly polar, polyanionic at neutral pH; best handled in aqueous systems.
Preferred solvents: deionized water; aqueous buffers (HEPES, Tris, phosphate) at near-neutral pH. Adjust ionic strength with NaCl/KCl if needed for biophysical assays.
Limited compatibility: poor solubility expected in aprotic organics (DCM, Et2O, toluene, THF). Partial solubility sometimes achievable in water–methanol or water–DMSO mixtures; DMSO may be used at low percentages to aid dissolution but can interact with some biochemical assays.
Practical tips:
Pre-wet the solid with minimal water before adding buffer to prevent localized high pH/ionic strength that might precipitate salts.
Filter sterilize (0.22 µm) rather than heat-sterilize; avoid autoclaving which can hydrolyze phosphate esters.
Small comparison (literature, general):
Inositol polyphosphates vs nucleotides (ATP/ADP): both dissolve well in water; nucleotides often tolerate higher Mg2+; inositol polyphosphates can chelate multivalent cations—add Mg2+/Ca2+ carefully to avoid precipitation.
Aqueous buffer choice: HEPES (pH stability, low metal binding) is often preferable over phosphate if studying phosphate-sensitive enzymes.
Storage and Reconstitution
Item-specific (Product Data):
Storage Conditions: Room temperature
Shipped In: Not specified for this item; refer to CoA/Spec Sheet.
General best practices (informational; confirm against CoA/SDS for this item):
Solid material: Store tightly sealed, desiccated, protected from moisture and light at room temperature as indicated. If hygroscopic, consider secondary containment with desiccant. Record mass quickly to minimize water uptake.
Reconstitution: Dissolve in high-purity water or appropriate buffer. Determine exact concentration from the item’s molecular weight and salt/hydration state (confirm on CoA). Adjust pH to neutral if necessary to maximize stability.
Working stocks: Prepare concentrated aqueous stocks (e.g., 10–100 mM), sterile-filter (0.22 µm), and aliquot to avoid repeated freeze–thaw. Store aliquots at 2–8 °C or frozen (−20 °C) if allowed by the CoA; some polyphosphates are stable at room temperature when dry but less so in solution.
Stability monitoring: Inspect for precipitation, pH drift, or degradation by anion-exchange HPLC or 31P NMR at intervals appropriate to your use.
Disposal: Follow institutional guidelines for aqueous phosphate-containing waste; avoid discharge to drains without proper neutralization and approval.
Structure and Identity
Brief overview: Ip₅I is supplied in our Moligand small-molecule/compound library. Item-specific structural identifiers are limited in the Product Data; consult the CoA for definitive structural details.
Item-specific (Product Data):
Product Name: Ip₅I (SKU: I611134)
CAS: I611134 (as provided)
PubChem CID: 136203454 (as provided)
InChIKey: 100502 (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 context (not item-specific):
The abbreviation “Ip₅I” is commonly used in the literature for inositol pentakisphosphate 5‑imidodiphosphate/imidazolide derivatives, i.e., highly phosphorylated inositol cores bearing an activated phosphate functionality. Such structures feature a cyclohexane (myo‑inositol) scaffold with multiple phosphate or diphosphate groups.
Functional groups typically encountered: multiple phosphate mono-/diesters (P–O), possibly pyrophosphate (P–O–P), and an imidoyl/imidazolide activating moiety on one phosphate in certain analogs.
2D structural description (literature, generic): a chair-conformation myo‑inositol ring (six-membered carbocycle) with axial/equatorial hydroxyls replaced by phosphate substituents at five positions; one position may carry an activated phosphate derivative. The molecule is highly anionic at neutral pH, commonly isolated as an alkali or ammonium salt.
Note: The exact isomer, counterion, and substitution pattern for this catalog item are not specified in the Product Data and should be confirmed from the CoA/SDS before use.
Synthetic Utility
Item-specific synthetic roles: Not specified for this item; refer to CoA/Spec Sheet.
Literature/general synthetic perspectives for inositol pentakisphosphate/activated phosphate analogs:
Functional group leverage: Multiple phosphate esters provide polyvalent anionic handles for selective recognition and potential late-stage diversification (e.g., counterion exchange, isotopic labeling with 18O/32P in research contexts).
Activated phosphate (e.g., imidodiphosphate/imidazolide) forms act as phosphoryl transfer reagents in aqueous media, enabling formation of P–N (phosphoramidate) or P–O linkages under mild conditions, often without metal catalysts.
Protecting-group strategies: Synthesis typically employs benzyl or silyl protections on inositol hydroxyls, followed by global phosphorylation and selective activation; knowledge of this informs stability expectations (sensitivity to acid/base, heat).
Analytical handles: High charge enables purification by strong anion-exchange chromatography; counterion manipulation (TEA, DBU, Na+/K+) can tune solubility for downstream transformations.
Use in probe creation (general):
Conjugation at a single phosphate via carbodiimide- or CDI-like activation (or via preformed imidazolides) allows attachment of reporter tags (fluorophores, biotin) through spacer arms, yielding affinity probes for pull-downs or imaging.
Target Specificity
Item-specific target/assay validation data are not provided in the Product Data for this catalog entry.
Not specified for this item; refer to CoA/Spec Sheet and any associated application notes for receptor/enzyme selectivity, binding constants, or cellular activity.
Note: For small-molecule ligands such as inositol polyphosphate analogs, target specificity is highly dependent on exact isomerism, substitution, and counterion. Always verify structural identity and consult primary literature corresponding to the precise compound before designing target-focused experiments.
Perguntas frequentes
What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is I611134. InChIKey GFFAYTMBCSSULP-ICIWVTHHSA-I.
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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