Spermatinamine , CAS No.1001438-81-8

CAS: 1001438-81-8 Cat. No.: S1433549 Formula: C₃₂H₄₄Br₄N₆O₆ Molecular Weight: 928.34

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Spermatinamine is a novel alkaloid with a bromotyrosyl-spermine-bromotyrosyl sequence, and a natural ICMT inhibitor. Spermatinamine can be isolated from the Australian sponge Pseudoceratina.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Molecular Weight

928.34

Application Protocols

No vendor-validated application protocols are provided for this item.

General workflows for small-molecule use in research:

• Stock solution: Weigh solid quickly at ambient conditions, minimizing exposure to air and moisture. Dissolve in dry DMSO to 10–50 mM. Vortex and, if necessary, sonicate briefly. Aliquot into low-bind microtubes; store at −20°C.
• Dose–response assays: Prepare serial dilutions in DMSO (e.g., 3-fold series) and back-dilute into assay buffer or media to reach final DMSO ≤0.1–1% v/v. Include vehicle controls at the highest DMSO level.
• LC–MS quantitation: Build a calibration curve from independently weighed standards; use matrix-matched calibration if quantifying in complex media. Track injection stability over the run.
• Stability testing: Incubate working solutions at the intended temperature and time; analyze by HPLC/LC–MS for degradation and adsorption losses.

If your application requires a validated protocol (biochemical assay conditions, cell culture timing, or analytical gradient), contact Technical Support with the SKU and lot number; we can provide any available method notes tied to supplied documentation.

Biological Roles

Item-specific biological activity or target information is not provided in this listing. The compound is supplied strictly for research use only.

General context for small-molecule standards in biology (non-clinical, literature-informed background):

• Small molecules from natural product or synthetic origins are widely used as chemical probes to interrogate cellular pathways, enzymatic mechanisms, and structure–activity relationships. When appropriately characterized, they can provide time-resolved, reversible modulation distinct from genetic perturbations.
• For cellular work, key practical considerations include membrane permeability, efflux liability, nonspecific binding to plastic/serum proteins, and chemical stability in culture media. These factors can dominate apparent potency and should be profiled when feasible.
• Orthogonal readouts (biochemical assay, target engagement by thermal shift or CETSA, and phenotypic response) help establish on-target effects and reduce artifacts from aggregation or redox cycling.

Important caveats:

• No therapeutic or diagnostic claims are made for this product. It is not approved for clinical use.
• Any specific mechanism, pathway selectivity, or phenotype should be inferred only from validated, peer-reviewed studies using well-characterized material and appropriate controls. Consult the CoA/Spec Sheet and primary literature associated with CAS 1001438-81-8 for definitive details if needed.

Buffer Applications

This product is not a buffering reagent. However, end users commonly dilute small-molecule stocks into biological buffers for assays.

Practical guidance (general):

• Stock preparation: Prepare a concentrated stock in DMSO (e.g., 10–50 mM). Confirm clarity and absence of particulates by visual inspection; filter through 0.22 μm PTFE if needed and compatible.
• Assay dilution: Add the DMSO stock to pre-equilibrated buffer (e.g., PBS, HEPES, or Tris-based buffers) with thorough mixing to avoid local supersaturation. Typical final DMSO concentration is 0.1–1% v/v depending on assay tolerance.
• pH considerations: If solubility appears pH-dependent, screen buffers spanning pH 6.5–8.0. Avoid extreme pH without compound stability data.
• Protein binding: In serum-containing media, adsorption to proteins can reduce free concentration. Consider measuring free fraction (e.g., equilibrium dialysis) for quantitative pharmacology experiments.
• Adsorption: To minimize adsorption to plastics, use low-binding polypropylene plates/tubes and minimize compound residence time at high dilution.

Since no pKa or solubility values are provided for this item, optimization should be empirical and documented for your protocol and lot. Always record final buffer composition, co-solvent percentage, and compound concentration for reproducibility.

Green Alternatives

As a research small molecule, Spermatinamine is not a process solvent or commodity reagent. “Green alternatives” therefore relate to handling solvents and workflows rather than replacing the compound itself.

Greener handling considerations (general guidance):

• Prefer aqueous buffers with minimal organic co-solvent where feasible. When co-solvent is required, consider ethanol or isopropanol before DMF/DMAC, and keep final organic content as low as assay performance allows.
• For stock solutions, DMSO remains common due to broad solvency and benign environmental profile relative to many dipolar aprotics. Ethanol can be a greener alternative if the compound is sufficiently soluble and stable.
• Use microscale reactions/assays to minimize solvent consumption; adopt 96/384-well formats and sealed plates to reduce evaporation losses.
• Apply closed-cap LC–MS vials and low-waste mobile phases (e.g., water/ethanol, water/ACN with volatile buffers) when chromatographic performance allows.

Illustrative comparison (general; choose based on solubility and assay constraints):

• DMSO: High solvency, low volatility; widely compatible; typically acceptable at ≤1% v/v in biological assays.
• Ethanol: Renewable feedstock; higher volatility simplifies removal; may affect membrane permeability in cells—validate carefully.
• ACN vs MeOH: MeOH is often considered greener than ACN; use MeOH in LC where chromatographic performance is adequate.

Implement solvent-recovery where practical and follow institutional green-chemistry guidelines.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation use is specified for this product. It is supplied strictly for research use only and is not intended for human or veterinary administration.

General considerations for preclinical formulation research (informational only):

• For in vitro studies, DMSO stocks diluted into assay buffer or culture media are standard. Keep DMSO below the tolerated threshold for the specific system.
• For exploratory in vivo method development (where permitted by institutional approvals), typical vehicles can include aqueous buffers with cosolvents/surfactants (e.g., saline with 5–10% DMSO and 10–40% PEG400 or 1–10% Solutol/Polysorbate). Such use requires independent safety and compatibility assessment; Aladdin makes no recommendation or claim.
• Solid dispersions, cyclodextrin inclusion, or lipid-based vehicles may improve exposure for poorly soluble compounds; any such formulation work should be supported by stability data.

No claims are made regarding therapeutic efficacy, safety, or regulatory approval. For any application beyond basic research, consult institutional guidelines and obtain appropriate approvals.

Physical Properties

Item-specific physical constants have not been disclosed for this catalog entry.

• Appearance: 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.
• Refractive index: Not applicable/Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general laboratory considerations; literature/good practice):

• For small-molecule screening samples, initial dissolution is commonly attempted in dry DMSO at 10–50 mM, followed by dilution into assay media or aqueous buffers. Verify solubility and stability experimentally for your lot.
• If aqueous dissolution is desired, evaluate water, PBS, or HEPES buffers across pH 6.5–8.0 with incremental co-solvent (e.g., 1–10% v/v DMSO or ethanol) while monitoring for precipitation.
• Assess compound integrity by rapid LC–MS or HPLC after dissolution and again after storage to detect hydrolysis, oxidation, or adsorption losses.
• Avoid repeated freeze–thaw cycles of stock solutions; aliquot under inert atmosphere when feasible.

All numeric property values required for method validation should be taken from the lot-specific CoA/Spec Sheet.

Quality & Grades

Grade/purity for this SKU is not specified within the current listing. All item-specific quality attributes should be verified on the lot CoA/Spec Sheet.

• Grade/purity: Not specified for this item; refer to CoA/Spec Sheet.
• Intended use: Research use only (RUO). Not for human or veterinary use, diagnostic procedures, or clinical applications.
• Storage conditions: Store at −20°C (per Product Data). Shipped in an ice chest with ice pads to limit thermal excursions during transit.

What to expect from Aladdin Scientific small-molecule standards:

• Identity confirmation by appropriate spectrometric/analytical methods (e.g., NMR, LC–MS) and a purity assessment by HPLC/UPLC unless otherwise noted on the CoA.
• If stabilizers, salt forms, residual solvents, or counter-ions are present, they will be stated on the CoA. This listing does not specify such details; consult documentation.

Interpreting grade terms (general guidance):

• Screening/library grade is suitable for hit-finding, biochemical assays, and cell-based studies where chromatographic purity is typically ≥95% by HPLC (example guidance only; rely on CoA for actual values).
• Analytical or reference standard grade focuses on identity and purity traceability, often accompanied by detailed analytical data packages.

For regulatory or method-validation work requiring traceable standards, request the latest CoA and any available extended data packages for the exact lot number you will use.

Reaction & Applications

This item is offered as a defined small-molecule standard for discovery research rather than as a synthetic reagent. No manufacturer reaction-use notes are provided in the listing.

Typical research applications (general):

• Reference material for bioassays and screening workflows (biochemical, biophysical, or cell-based), including hit confirmation, dose–response characterization, or profiling experiments.
• Analytical standard for LC–MS method development, retention-time locking, or system suitability where the structure and purity are controlled by the CoA.
• Probe development starting point in medicinal chemistry programs; derivatives may be synthesized for SAR if the scaffold is suitable and synthetic routes are available in the literature.

Good practices:

• Establish a robust stock-solution protocol (solvent, concentration, storage temperature, and aliquoting) and track freeze–thaw cycles.
• Evaluate stability under your exact reaction/assay conditions by re-injecting samples on LC–MS or HPLC at relevant time points.
• When coupling to surfaces or carriers (e.g., for target engagement studies), confirm that any derivatization leaves the key recognition motif intact; use orthogonal characterization to verify integrity.

Because no reaction family or named-transformation role is specified by the manufacturer, treat this compound primarily as a research standard/probe candidate rather than a bulk reagent.

Reaction Conditions

No manufacturer-recommended synthetic reaction conditions are associated with this product. It is supplied for use as a research standard or assay compound rather than a reagent.

General handling and solution preparation (practical guidance):

• Dissolution: Begin with anhydrous DMSO at 10–50 mM. If insoluble, consider warming gently (≤40°C) and brief sonication. Avoid extended heating or basic/acidic conditions without stability data.
• Dilution into aqueous systems: Add organic stock to buffer slowly with mixing to prevent precipitation. Prepare fresh working solutions immediately before use when possible.
• Stability checks: Use LC–MS or HPLC to monitor for degradation after dissolution (time-zero vs post-incubation samples). Store aliquots at −20°C and protect from light if chromophores are suspected.

If you intend to use this molecule in a chemical transformation (e.g., for prodrug or probe synthesis), first confirm the exact functional groups from the CoA/structure and consult the primary literature specific to CAS 1001438-81-8 for precedents. Then develop conditions on milligram scale with careful analytical control.

Safety & Handling

Hazard classification for this specific item is not provided in the listing.

• Signal word: Not specified for this item; refer to SDS.
• GHS pictograms/classes: Not specified for this item; refer to SDS.
• Hazard statements (H-codes): Not specified for this item; refer to SDS.

General laboratory precautions (deferring to the SDS for authoritative guidance):

• Wear appropriate PPE: lab coat, safety glasses, and chemically resistant gloves. Handle in a fume hood to avoid inhalation of dusts or vapors during weighing and dissolution.
• Storage: Store at −20°C as specified for this item. Keep container tightly closed, protected from moisture and light. Allow vials to equilibrate to room temperature in a desiccator before opening to minimize condensation.
• Incompatibilities: Specific incompatibilities are not provided. As a general precaution for organic small molecules, avoid strong oxidizers and strong acids/bases until compatibility is known. Do not heat the substance above necessary temperatures without stability data.
• First aid overview: In case of skin contact, wash with soap and water; for eye contact, rinse cautiously with water for several minutes and seek medical advice; if inhaled, move to fresh air; if ingested, rinse mouth and seek medical attention. Provide the SDS to medical personnel.
• Waste: Collect and dispose of waste in accordance with institutional and local regulations for organic laboratory chemicals.

Always consult the lot-specific SDS for complete and current safety information.

Solvent Selection

This product is a research small molecule; solvent selection depends on your intended workflow (weighing, stock preparation, assay dilution, or analytical method development). Item-specific solubility data are not provided.

Recommended approach (general good practice):

• Primary stock: Attempt dissolution in anhydrous DMSO at 10–50 mM. Vortex and sonicate briefly if needed; avoid prolonged heating without stability data.
• Alternative organics: If DMSO is unsuitable, screen MeOH, EtOH, acetonitrile (ACN), or DMF at 5–25 mM. Verify compatibility with downstream assays.
• Aqueous use: Prepare concentrated organic stocks and dilute into aqueous buffers (PBS, HEPES, Tris) just prior to use, targeting final organic co-solvent 0.1–1% v/v for biochemical assays and ≤0.1% for sensitive cell systems.
• Analytical methods: For LC–MS, typical mobile phases are water/ACN or water/MeOH with 0.1% formic acid or ammonium formate/acetate buffers. Tune pH and ionic strength based on observed retention and ionization.

Small comparison (general):

• DMSO: Broad solvency, high boiling point, compatible with most assays at low %.
• MeOH/EtOH: Lower toxicity than DMF/DMAC; may improve aqueous mixing; volatile and convenient for evaporation.
• ACN: LC-friendly, low viscosity; watch for reduced solubility of very polar analytes.

Always confirm solubility, stability, and assay compatibility experimentally for your lot.

Storage & Reconstitution

Storage and shipping conditions for this item are specified; all other details should be taken from the lot-specific CoA/Spec Sheet.

• Storage temperature: Store at −20°C (per Product Data).
• Shipping: Shipped in an ice chest with ice pads to limit thermal excursions.
• Physical form/appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Reconstitution solvent: Not specified for this item; DMSO is commonly used for small molecules; confirm compatibility experimentally.

Best practices for handling:

• Equilibrate the sealed vial to room temperature before opening to avoid moisture condensation. If available, handle in a desiccator or under dry inert gas.
• Prepare a concentrated stock (e.g., 10–50 mM) in an appropriate dry solvent. Filter through a 0.22 μm PTFE syringe filter if particulates are observed and the compound is filter-stable.
• Aliquot stocks into single-use volumes to minimize freeze–thaw events; store aliquots at −20°C or below. Avoid frost-free freezers that cycle temperatures.
• Protect from light if the compound is known or suspected to be photosensitive; use amber vials/foil wrap.
• Record preparation date, solvent, concentration, and lot number on each aliquot. Periodically re-verify concentration/purity by HPLC/LC–MS for long-term studies.

For any additional constraints (hydration state, salt form, stabilizers), consult the CoA/Spec Sheet for your specific lot.

Structure & Identity

Spermatinamine is supplied as a research-only small-molecule standard from Aladdin Scientific.

• SKU: S1433549
• Product name: Spermatinamine
• CAS: 1001438-81-8
• Synonyms: 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.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChI / InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

Structural description (general):

• Item-specific structural features (functional groups, ring systems, stereochemistry) are not provided in the current listing. Please consult the CoA/Spec Sheet and primary literature for definitive structure and atom connectivity.
• This product is categorized under “small molecules and compound libraries,” and is intended for discovery research, assay development, and method validation where a defined single chemical entity is required.

Notes for identity confirmation in the lab:

• For incoming QC, typical orthogonal identity checks include 1H/13C NMR, HRMS/LC–MS, and analytical HPLC purity profiling. If you require a specific analytical method or reference spectrum, contact Technical Support with the SKU and lot number.
• If a structural depiction is needed for ELN/LIMS, please use the structure from the accompanying CoA/Spec Sheet or from a trusted database keyed to CAS 1001438-81-8.

Synthetic Utility

Spermatinamine is offered as a discrete small-molecule standard rather than a general-purpose synthetic building block, and no functional-group specification is provided in this listing.

How it may be used in synthesis (general possibilities):

• Reference standard: Serve as an authentic standard to benchmark the outcome of a total synthesis or semi-synthetic route, enabling verification by co-injection LC–MS/HPLC and NMR comparison.
• Derivatization starting point: If the scaffold contains modifiable handles (e.g., amines, alcohols, halogens—unknown for this item), analog generation could support SAR studies. Any derivatization strategy must be based on the actual functional groups verified from the CoA/structure.
• Conjugation: If a suitable anchor exists, attachment to resins, affinity tags, or reporter groups may enable chemoproteomics or biophysical studies; confirm that derivatization does not disrupt key pharmacophores.

Caveats:

• Without confirmed functional-group data for this SKU, do not assume reactivity or plan transformations. Obtain the exact structure and perform small-scale test reactions with analytical monitoring.
• Maintain thorough analytical characterization (NMR, HRMS, HPLC) at each stage when preparing analogs or conjugates derived from this compound.

Target Specificity

Target, mechanism, or binding specificity is not provided for this item in the current listing.

• Target/Pathway: Not specified for this item; refer to CoA/Spec Sheet and primary literature.
• Species selectivity: Not specified for this item; refer to CoA/Spec Sheet.
• Assay-validated activity: Not specified for this item; refer to CoA/Spec Sheet.

Guidance for end users (general):

• Establish target engagement with orthogonal assays (e.g., biochemical inhibition vs thermal shift, pull-down, or cellular target occupancy) to confirm on-target effects.
• Include appropriate negative/vehicle controls and, when possible, a structurally unrelated positive control to de-risk assay artifacts.

Please consult peer-reviewed literature associated with CAS 1001438-81-8 and the lot-specific CoA for any known specificity data before designing targeted studies.

Frequently Asked Questions

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1001438-81-8, the molecular formula is C32H44Br4N6O6, and the molecular weight is 928.34 g/mol.

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.