MIC5 , CAS No.2349307-32-8

CAS: 2349307-32-8 Cat. No.: M1439663 Formula: C₆₆H₁₃₆N₄O₄ Peso molecolare: 1049.81

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

MIC5 is an LNP that can be used for vaccine delivery.

Specifications

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Peso molecolare

1049.81

Application Protocols

Item-specific tested applications and conditions: Not specified for this item; refer to CoA/Spec Sheet.

General protocols for small-molecule screening materials:

• Stock preparation: dissolve MIC5 in dry DMSO to 10–50 mM. Aliquot into low-bind, amber tubes. Store at −20°C. Avoid repeated freeze–thaw; use single-use aliquots.
• Serial dilution: prepare half-log or 3-fold serial dilutions in DMSO, then back-dilute into assay buffer/media, ensuring final DMSO ≤1% v/v unless validated otherwise.
• Solubility/aggregation checks: visually inspect after dilution; use nephelometry or light scattering if available. Include 0.01% detergent controls where mechanistically appropriate to rule out aggregation artifacts.
• Analytical QC: verify identity and purity by LC–MS/HPLC before first use and after prolonged storage. Track any new impurity peaks.
• Data quality controls: include vehicle controls, positive controls (if available), and counter-screens to identify assay interference.
• Documentation: record lot number, CoA, dissolution vehicle, concentration, and storage history in your ELN or LIMS.

Biological Roles

Item-specific biological function and targets: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule library members:

• Absent target annotation, treat MIC5 as a chemical matter starting point. Use broad profiling (e.g., kinase panels, GPCR/ion channel safety panels, or phenotypic assays) only if supported by appropriate controls and counter-screens.
• Evaluate chemical liabilities early: PAINS/aggregators (using substructure filters and detergent controls), redox cyclers, metal chelators, and reactive electrophiles can produce false positives. Orthogonal readouts mitigate risk.
• If a MoA is proposed, complement activity data with biophysical binding (DSF, ITC, SPR/BLI) and cellular target engagement (CETSA, DARTS, NanoBRET) to substantiate specificity.
• Consider basic ADME properties (solubility at assay pH, logD7.4) and stability (chemical and metabolic) when interpreting biological data; apparent inactivity may reflect poor exposure rather than lack of potency.
• No medical or clinical claims are made or implied; MIC5 is supplied strictly for research use in vitro/in vivo non-clinical experiments as permitted by institutional policies.

Buffer Applications

Not typically applicable. MIC5 is a small-molecule research compound rather than a buffer reagent.

Practical notes for assay buffers involving small-molecule stocks:

• Prepare MIC5 concentrated stocks in DMSO (common: 10–50 mM), then dilute into assay buffers (e.g., PBS, HEPES, Tris) ensuring final DMSO ≤1% v/v, unless your assay tolerates more. Validate that MIC5 remains in solution after dilution (inspect for turbidity/precipitation).
• Buffer selection should be driven by biological target needs; avoid primary amine buffers (e.g., Tris) if the compound will be derivatized via NHS esters or if amine-reactivity is suspected. Use HEPES/MOPS as alternatives.
• Control ionic strength and pH, as compound ionization influences solubility and target engagement. Record pH pre- and post-compound addition, particularly at low buffer capacity or high compound loadings.
• Include vehicle controls matched for DMSO and any co-solvents used; consider using a small amount of non-ionic surfactant (e.g., 0.01% Tween-20) to mitigate aggregation artifacts when scientifically justified.

Green Alternatives

Since MIC5’s structure and solvent needs are unspecified, solvent and process greenness must be managed generically.

Greener solvent selection (general guidance):

• Prefer water, ethanol, isopropanol, acetone, and ethyl acetate where compatible. Use acetonitrile and methanol judiciously; avoid chlorinated solvents unless necessary for selectivity or solubility.
• For moisture-tolerant chemistry, consider 2-MeTHF or CPME instead of THF/Et2O to reduce peroxide risk and improve life-cycle metrics.
• For extractions, MTBE or EtOAc often replace DCM/CHCl3 with comparable partitioning in many systems.

Comparison (general considerations):

• Water/EtOH/EtOAc: low toxicity, good EHS profiles; may require higher volumes and longer dissolution times.
• ACN/MeOH: effective for LC and polar analytes; higher environmental burden; ensure solvent recycling.
• DCM: powerful, fast extractions; significant EHS concerns—reserve for cases with clear performance justification.

Process tips:

• Right-size reaction scale and solvent volumes; implement microscale screens to minimize waste.
• Reuse and distill common solvents where permitted; implement closed-loop solvent delivery.
• Select catalytic conditions over stoichiometric reagents when possible; evaluate aqueous micellar catalysis if compatible with the (eventual) structure of MIC5.
• Document solvent choice rationale in ELNs, enabling continuous improvement toward greener substitutions.

Pharmaceutical Uses

Item-specific regulatory/excipient status: Not specified for this item; refer to CoA/Spec Sheet.

Contextual information (no therapeutic claims):

• MIC5 is provided for research use only and is not intended for human or veterinary use, nor for ex vivo diagnostic procedures.
• If formulation research is pursued (e.g., preclinical enabling studies), typical excipient strategies for small molecules include cyclodextrin complexation, co-solvent systems (PEG-400/ethanol/saline), or lipid-based vehicles. Compatibility must be empirically verified for MIC5 once its physicochemical profile is known.
• For in vitro dosing, prepare DMSO stock solutions and verify precipitation limits in culture media containing serum/protein. Vehicle control matching is critical to interpret pharmacology correctly.
• For solid-state work (if applicable), determine polymorph/salt form, hygroscopicity, and glass transition temperature as these impact manufacturability and stability. Such data are compound-specific and are not provided for MIC5.

Physical Properties

Item-specific specs: Not specified for this item; refer to CoA/Spec Sheet.

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): Not specified for this item; refer to CoA/Spec Sheet.
• Density/refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/pKa/solubility: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice):

• For unknown solids, start with a solubility screening panel at room temperature: water, PBS (pH 7.4), MeOH, EtOH, DMSO, DMF, acetonitrile, EtOAc, toluene, and hexanes. Begin at 1–10 mg/mL. Heat gently (<50°C) if needed and avoid prolonged heating of potentially labile compounds.
• For UV-active compounds, a 200–400 nm scan (in MeOH or ACN) can inform detection wavelengths for HPLC/UPLC methods.
• Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) can characterize solid-state transitions and thermal stability if formulation or processing is anticipated.
• If hygroscopicity is suspected, perform Karl Fischer on equilibrated samples at defined RH to estimate water uptake. This informs weighing accuracy and storage needs.
• Particle size may affect dissolution rates; sieving/micronization can improve handling but confirm chemical stability after processing.

Quality and Grades

Item-specific grade/purity: Not specified for this item; refer to CoA/Spec Sheet.

How to interpret quality information when provided:

• Purity (% area by HPLC/UPLC): indicates the proportion of the principal component under specified conditions. Note that orthogonal purity (NMR, GC) may differ if volatile/non-UV impurities are present.
• Identity confirmation: typically supported by 1H NMR, 13C NMR, MS (ESI/APCI), sometimes HRMS and elemental analysis. For salt forms, counterion content and residual solvent profile should be reported.
• Residual solvents/heavy metals/elemental analysis: if provided, these contextualize suitability for sensitive catalysis or biological assays.
• Stabilizers/inhibitors: Not specified for this item; refer to CoA/Spec Sheet. If an inhibitor is present, this can affect reactivity and assay results; remove if necessary (e.g., by preparative HPLC) or account for it in controls.

Practical advice:

• For screening applications, ≥95% HPLC purity is typically adequate; for quantitative SAR/biophysics, ≥98% with full spectral assignment is preferred.
• If batch-to-batch continuity matters, request lot-specific CoA and chromatograms. Archive them with your ELN for traceability.
• Upon opening, document appearance, reweigh net content, and record any odors or discoloration; these notes help identify degradation trends.

Reaction and Applications

Item-specific applications: Not specified for this item; refer to CoA/Spec Sheet.

General research contexts for library compounds like MIC5:

• Primary/secondary screening: evaluate MIC5 in biochemical or cell-based assays as part of a discovery library. Prepare serial dilutions (e.g., 10-point half-log) from DMSO stocks; include vehicle and positive/negative controls.
• Mechanism-of-action exploration: if a putative target emerges, apply orthogonal assays (thermal shift/DSF, SPR/BLI, CETSA, or enzymatic kinetics) to corroborate binding or activity.
• Chemical biology probes: contingent on structure, MIC5 can be derivatized (if functional handles exist) to append reporter tags (biotin, fluorophores) via amide/ester/Click chemistries for pull-downs or imaging. Absent structural information, first confirm reactive handle presence by NMR/IR.
• ADME pre-assessment: logD7.4, permeability (PAMPA/MDCK), metabolic stability (microsomes/S9), and plasma protein binding identify developability risks. Ensure analytical standards and stable stocks; pre-clear solubility limits to avoid artifactual readouts.
• Orthogonal purity checks: combine HPLC-UV with CAD/ELSD and LC–MS to reveal non-UV impurities that can confound biological results.
• If synthetic elaboration is intended, acquire or determine the absolute structure to plan SAR; avoid speculative reactions until core functionality is verified.

Reaction Conditions

Item-specific reaction conditions: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule handling in synthesis/assay preparation:

• Dissolution for stock solutions: DMSO at 10–50 mM is typical. Warm gently (<40–50°C) and vortex/sonicate to expedite dissolution. Filter through 0.2 µm PTFE if particulate remains and compound is not adsorptive.
• Stability scouting: incubate aliquots at pH 2, 7.4, and 9 (buffered, 37°C) and monitor by LC–MS over 24–72 h to anticipate degradation in biological assays.
• If derivatization is attempted (once functionality is known), use standard conditions: amide couplings (HATU/EDC, DIPEA, DMF), esterifications (DCC/DMAP), and click reactions (CuAAC with CuSO4/sodium ascorbate in tBuOH/H2O). Always confirm compatibility with MIC5’s functional groups.
• Chromatography: start with C18 RP-HPLC using 5–95% ACN or MeOH in water with 0.1% formic acid; collect UV at multiple wavelengths (210/254/280 nm) plus MS to characterize components.
• Solid handling: if hygroscopic, dispense under dry nitrogen; use pre-tared vials to minimize exposure. If volatile or sublimable, work at reduced temperatures and closed systems.

Safety and Handling

Item-specific hazard data: Not specified for this item; refer to SDS.

• Signal word: Not specified for this item; refer to SDS.
• GHS classification/pictograms/H-statements: Not specified for this item; refer to SDS.

General laboratory safety for small molecules:

• Use standard PPE: lab coat, nitrile gloves, and splash goggles. Handle powders and solutions in a fume hood to minimize inhalation exposure.
• Avoid skin/eye contact and ingestion. Wash thoroughly after handling. Do not pipette by mouth. Keep away from food and beverages.
• Storage incompatibilities are unknown; segregate from strong oxidizers, strong acids/bases, and reducing agents until compatibility is established. Keep container tightly closed, desiccated, protected from light if the compound is suspected to be photosensitive.
• First aid (overview; defer to SDS): eye contact—rinse with water for ≥15 min; skin—wash with soap/water; inhalation—move to fresh air; ingestion—seek medical advice.
• Spill response: contain solid spills with inert absorbent, avoid dust generation, collect for disposal. For solutions, absorb with inert material; ventilate area.
• Waste: dispose as organic laboratory waste per institutional and regulatory requirements; do not discharge to drains.
• Analytical verification (LC–MS, HPLC) is recommended upon receipt to confirm integrity after cold-chain shipment.

Solvent Selection

Item-specific solvent preferences: Not specified for this item; refer to CoA/Spec Sheet.

General solvent strategy for unknown small molecules:

• Start with DMSO as a universal stock solvent for screening (e.g., 10–50 mM), then dilute into assay buffers to ≤1% DMSO final to limit vehicle effects.
• Build a solubility map using a polarity ladder: water/PBS, methanol, ethanol, acetonitrile, isopropanol, acetone, ethyl acetate, methyl tert-butyl ether (MTBE), dichloromethane, toluene/hexanes. Note dissolution rate, need for warming, and precipitation upon dilution.
• Consider acid/base ionization aids: for basic amines, add a drop of acid (e.g., 0.1% formic acid in MeOH) to form a soluble salt; for acids, a drop of base (e.g., 0.1% NH3 or TEA) can improve solubility. Record pH to maintain reproducibility.
• For LC method development, start with ACN/water or MeOH/water with 0.1% formic acid (positive mode) or 5–10 mM ammonium acetate (negative mode). Adjust gradient and buffer strength to optimize retention and peak shape.
• For moisture-sensitive compounds, use anhydrous solvents and handle under inert gas. For light-sensitive analytes, use amber vials and minimize exposure.
• If the compound is lipophilic (observed oiling out, high retention on C18), try co-solvents such as PEG-400 or cyclodextrin inclusion for aqueous work; document vehicle effects on assays.

Storage and Reconstitution

Item-specific instructions (from Product Data):

• Storage conditions: Store at −20°C
• Shipped in: Ice chest + ice pads

Not specified for this item; refer to CoA/Spec Sheet:

• Appearance, exact form (free base vs. salt), hygroscopicity, light sensitivity, stabilizers/inhibitors (if any).

General best practices:

• Upon receipt, allow the sealed container to equilibrate to room temperature before opening to prevent condensation on cold material. Work quickly in a low-humidity environment if hygroscopicity is suspected.
• For solid material: prepare DMSO stock solutions at 10–50 mM. Use dry, oxygen-free solvents if instability is suspected. Filter if needed through 0.2 µm PTFE.
• For solutions supplied: verify concentration on CoA and store as recommended; avoid freeze–thaw by aliquoting into single-use vials.
• Protect from light until UV/visible stability is known; use amber glassware.
• Stability monitoring: periodically re-check purity by HPLC/LC–MS after 1–3 months at −20°C. If degradation is observed, consider −80°C storage and/or storing as dry solid under inert gas with desiccant.
• Label all aliquots with compound name, lot, solvent, concentration, and date prepared. Maintain an inventory log for traceability.

Structure and Identity

Item-specific facts (from Product Data):

• SKU: M1439663
• Product name: MIC5
• CAS: 2349307-32-8
• Storage: Store at -20°C
• Shipped in: Ice chest + ice pads
• Research Use: For research use only

Not specified for this item; refer to CoA/Spec Sheet:

• Chemical name, IUPAC name
• Molecular formula
• Molecular weight
• SMILES / InChI / InChIKey
• Stereochemistry, functional groups, structural class

General chemistry notes:

• Without a disclosed structure, MIC5 should be treated as a generic small-molecule research chemical. Identity confirmation prior to critical experiments is recommended (e.g., LC–MS for exact mass, 1H/13C NMR for core scaffold confirmation, and HPLC for purity profile).
• If a structure is later provided, document: ring systems (aromatic/aliphatic), heteroatoms (N, O, S, halogens), and any chiral centers or tautomers. Create a 2D depiction highlighting key functional motifs (H-bond donors/acceptors, cation/anion centers) to guide solubility and reactivity predictions.

Synthetic Utility

Item-specific reactivity/functional handles: Not specified for this item; refer to CoA/Spec Sheet.

General perspectives:

• Without a disclosed structure, no specific synthetic transformations can be recommended for MIC5. If structural information becomes available (e.g., presence of amines, acids, halides, azides, alkenes), standard derivatization routes (amide coupling, esterification, SNAr/SN2, cross-coupling, click chemistry, olefin functionalization) can be considered to build SAR or attach reporter groups.
• If MIC5 contains potential leaving groups (halides, sulfonates), it may serve as a building block for library expansion via Pd-catalyzed cross-couplings (Suzuki–Miyaura, Buchwald–Hartwig, Sonogashira) or nucleophilic substitutions.
• For probe development, introduce minimal-linker biotin/fluorophore tags through short PEG spacers at positions shown to tolerate substitution in SAR.
• Prior to any synthetic manipulation, confirm the exact structure and purity of MIC5 and assess stability under basic/acidic conditions, heat, and light. Use small-scale scouting reactions and LC–MS tracking to avoid material loss.
• Document stereochemical integrity (if any) during synthesis; monitor for epimerization, especially under basic or Lewis acidic conditions.

Target Specificity

Item-specific target/epitope/clone/isotype: Not applicable. MIC5 is a small-molecule research compound, not an antibody or biologic.

Not specified for this item; refer to CoA/Spec Sheet if any annotated biological targets become available.

General note:

• If a target is later assigned, report binding constants (KD, IC50/EC50), selectivity over related family members, and any off-target panel results with assay conditions. Document species differences if relevant.