Moexipril-d , CAS No.M1417382

CAS: M1417382 Cat. No.: M1417382 Formule: C₂₇H₃₁D₃N₂O₇ Poids moléculaire: 501.59

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Moexipril -d 3 is deuterated labeled Moexipril. Moexipril is an orally active inhibitor of angiotensin-converting enzyme ( ACE ), and becomes effective by being hydrolyzed to moexiprila hydrochloride. Moexipril exhibits antihypertensive and neuroprotective effects -.

Specifications

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Poids moléculaire: 501.59

Application Protocols

Item-specific tested applications, recommended dilutions, or protocols are not provided.

General considerations for use as an LC–MS internal standard (literature-based guidance):

• Prepare a primary stock in dry DMSO, MeOH, or ACN (e.g., 1–10 mM), aliquot, and store at −20 °C.
• Spike a fixed concentration of Moexipril-d into all calibration standards, QCs, blanks, and unknowns prior to extraction to correct for recovery and matrix effects.
• Verify co-elution with the non-deuterated analyte and absence of interference in the IS channel. Adjust gradient, pH, or column chemistry to match retention.
• Evaluate linearity, precision, and accuracy according to your laboratory SOPs.

Note: These are general literature practices, not item-certified protocols. For validated procedures, develop and qualify methods within your laboratory. Refer to the CoA/Spec Sheet for any lot-specific handling notes.

Biological Roles

No item-specific biological role data are provided. The following remarks summarize literature knowledge for the non-deuterated parent compound and are offered for biochemical context only (not clinical guidance).

• Mechanistic class (literature): Moexipril is known in biochemical research as a prodrug that is hydrolyzed to moexiprilat, a potent inhibitor of angiotensin-converting enzyme (ACE), which catalyzes conversion of angiotensin I to angiotensin II in the renin–angiotensin system.
• In vitro relevance: ACE inhibition can be quantified enzymatically; deuterated analogs serve as internal standards for monitoring prodrug hydrolysis and active metabolite formation in biochemical incubations (e.g., liver microsomes, esterase preparations), without implying any therapeutic use.
• Labeling considerations: Deuteration does not materially change target interactions at typical labeling sites but facilitates MS-based tracking due to the defined mass shift.
• Transport/metabolism (general): Prodrug ester groups are susceptible to chemical and enzymatic hydrolysis; subsequent carboxylate-containing metabolites may display altered polarity and protein binding relative to the parent (literature trend).

Important: Target specificity and application validations for this particular catalog item are not specified. For experimental use, verify activity, hydrolysis behavior, and matrix effects directly under your conditions and rely on the CoA/Spec Sheet for definitive identity and purity.

Buffer Applications

This product is not a buffering reagent and is not typically used to prepare biological or analytical buffers. If used in buffered systems (e.g., for enzymology or LC–MS mobile phases), select buffers compatible with your detection method:

• LC–MS-friendly options (general): 0.1% formic acid in water/organic, or 2–10 mM ammonium formate/acetate, pH 3–6.
• Enzymology (general): Use mild buffers (e.g., phosphate, HEPES) and avoid strong base or prolonged high pH that may accelerate ester hydrolysis in prodrug scaffolds.

Item-specific buffer recommendations are not provided; refer to your method development guidelines.

Green Alternatives

As an analytical reference standard, the principal environmental footprint arises from solvent use in sample preparation and chromatography rather than from the compound itself. Greener practice focuses on solvent selection and minimization.

Greener choices and trade-offs (general guidance):

• LC mobile phases:

  • Prefer water–ethanol or water–methanol systems over high-ACN loads when chromatographic performance allows. Ethanol has a better green profile than ACN but may impact peak shape and pressure; assess on your column.
  • Use volatile buffers at low concentration (e.g., formic acid, ammonium formate) to reduce downstream waste hazards.

• Sample prep solvents:

  • Replace chlorinated solvents with alcohols or ethyl acetate where extraction efficacy permits.
  • Miniaturize extraction and calibration volumes; employ 96-well microextraction plates to reduce solvent usage per sample.

• Energy and storage:

  • Consolidate freezer space and use insulated secondary containers to maintain −20 °C storage efficiency.

Comparison (general):

• ACN vs MeOH/Ethanol: ACN offers superior LC–MS peak shape for many analytes but has higher environmental and supply-chain concerns; MeOH/Ethanol are greener but may require longer gradients or modified columns.

Waste management:

• Segregate organic LC waste; capture in dedicated containers for solvent recovery or compliant disposal.

Note: No item-specific green metrics are specified; implement institutional green-chemistry policies while meeting method performance.

Pharmaceutical Uses

No therapeutic or clinical uses are claimed for this product. For research use only.

Relevant non-clinical/pharmaceutics context (general):

• Deuterated analogs like Moexipril-d are commonly employed as internal standards in pharmaceutical analysis to quantify the corresponding non-deuterated API and its related substances in development samples (e.g., stability studies, process development, formulation extracts), using LC–MS/MS or HRMS.
• Applications include: calibration curve construction, assay precision/accuracy checks, extraction recovery determination, and matrix-effect assessment in bioanalytical method development (without implying clinical testing with this product).
• Compendial status: Item-specific pharmacopeial references, if any, are not provided. Do not assume USP/EP compliance; verify against your project requirements and consult the CoA/Spec Sheet.

Formulation analytics (general guidance):

• Use deuterated internal standards to correct for sample preparation losses and ionization variability, improving quantitation robustness.
• Confirm that the deuteration pattern is non-exchangeable under your assay conditions to maintain a constant mass offset.

Item-specific regulatory or grade information is not specified for this product.

Physical Properties

Item-specific physicochemical specifications are not provided.

• 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 applicable/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.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP, pKa: Not specified for this item; refer to CoA/Spec Sheet.

General literature guidance (non-item-specific):

• Non-deuterated moexipril and related ACE-inhibitor prodrugs are polyfunctional and typically exhibit limited aqueous solubility in neutral water but dissolve in polar organic solvents such as methanol, ethanol, acetonitrile, and DMSO (literature/general trend). Actual solubility depends strongly on salt form and purity.
• Deuteration minimally alters bulk physical properties versus the protiated parent; small changes in chromatographic retention and mass spectral behavior are expected (literature).

Practical notes (general):

• For analytical use, prepare a small solubility screen (e.g., DMSO, MeOH, ACN, 1:1 MeOH:H2O with 0.1% formic acid) to identify a compatible stock solution and working diluent. Filter (0.2 µm PTFE) if particulates remain.
• Moisture and strong acid/base can promote ester hydrolysis in prodrug scaffolds; handle solutions accordingly. Always verify with your method and refer to the CoA/Spec Sheet for item-specific values.

Quality and Grades

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.
• Research Use Note: For research use only.

Interpretation and implications (general):

• Deuterated small molecules are typically supplied as analytical/reference standards for quantitative LC–MS/MS or GC–MS workflows. When provided without an explicit “analytical standard/HPLC” grade designation, users should verify suitability for their method (e.g., baseline cleanliness, isotopic enrichment, and residual solvents) by reviewing the CoA and running system suitability checks.
• Key quality attributes for deuterated standards (general considerations):
  • Isotopic enrichment and labeling pattern (e.g., d3, d4, site-specific vs exchangeable positions). Not specified for this item; refer to CoA/Spec Sheet.
  • Chemical purity and related substances profile. Not specified for this item; refer to CoA/Spec Sheet.
  • Residual solvent and water content. Not specified for this item; refer to CoA/Spec Sheet.
  • Salt form (free base/acid vs salt) and counterion identity, if applicable. Not specified for this item; refer to CoA/Spec Sheet.

What to check on receipt:

• Confirm integrity of cold-chain shipment (ice chest + ice pads) and product temperature.
• Inspect label/CoA for batch-specific data (purity %, isotopic enrichment, appearance, storage notes).
• Run a quick LC–MS scan to confirm expected mass shift relative to the non-deuterated analyte and assess background/blank cleanliness for your method.

Reaction and Applications

Primary utility of Moexipril-d is as an isotopically labeled analog for analytical and mechanistic studies; item-specific reaction chemistry is typically not the focus.

Analytical applications (general):

• Internal standard for LC–MS/MS quantitation of moexipril in complex matrices (e.g., stability samples, in vitro incubations, formulation extracts). Deuterated analogs co-elute closely with the analyte while providing a distinct mass channel (literature best practice).
• System suitability and method development: assess extraction recovery, matrix effects, and instrument response factors by spiking a constant level of Moexipril-d across calibration levels.

Mechanistic/biotransformation studies (general):

• Hydrolysis kinetics: compare ester cleavage rates under different pH/enzymatic conditions using deuterium labeling to confirm identity via MS.
• Metabolite tracing: deuterium retention patterns can validate metabolite structures and pathways when combined with HRMS.

Synthetic/derivatization context (general):

• If used as a starting point for isotopic exchange or further labeling, protect ester/amine functionalities appropriately and maintain mild conditions to avoid label scrambling (general guidance).

Tips for analytical workflows:

• Target co-elution: tune chromatographic conditions (stationary phase, gradient, modifiers) so the deuterated standard matches retention of the analyte; minor isotope effects may shift retention slightly.
• Validate linearity and carryover with the deuterated internal standard present at a fixed concentration.

Note: No item-specific application data are provided; adapt these literature-based practices to your method.

Reaction Conditions

No item-specific reaction conditions are provided. For typical analytical use of deuterated small-molecule standards, the following literature-based guidance applies:

• Stock preparation: dissolve at 1–10 mM in anhydrous DMSO, methanol, or acetonitrile. Vortex and, if needed, sonicate briefly. Filter through 0.2 µm PTFE if particulate persists.
• Working solutions: dilute stocks with LC–MS mobile phase (e.g., water/MeOH or water/ACN with 0.1% formic acid or 2–5 mM ammonium formate) immediately before use.
• Stability: maintain samples on ice or at 4 °C during sequence runs. Minimize time at room temperature for ester-containing compounds to limit hydrolysis.
• Chromatography: C18 or mixed-mode columns are commonly effective. Gradients from 5–95% organic over 5–15 min are typical starting points; adjust to co-elute with the non-deuterated analyte.
• Mass spectrometry: select transitions based on the known mass shift of the deuterated analog relative to the analyte; verify absence of in-source H/D exchange. Optimize fragmentor/CE empirically.

If employing this compound in chemical reactions (less typical):

• Protect labile groups and avoid strong basic or strongly acidic conditions that may cause ester cleavage or deuterium exchange at acidic sites.

Always validate conditions in your own laboratory and refer to the CoA/Spec Sheet for any item-specific recommendations.

Safety and Handling

Hazard classifications are not provided in the Product Data; consult the SDS for authoritative information.

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

General laboratory precautions (good practice for small organic molecules):

• Use in a chemical fume hood. Avoid inhalation of dust/aerosols and contact with skin/eyes.
• Recommended PPE: lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Wash hands thoroughly after handling.
• Avoid strong acids/bases and prolonged exposure to moisture that can promote ester hydrolysis and degradation in prodrug-like scaffolds (general guidance).
• Thermal sensitivity: Store at low temperature per item guidance to slow degradation pathways; avoid repeated freeze–thaw of solutions.

First-aid overview (general):

• Inhalation: Move to fresh air; seek medical attention if symptoms persist.
• Skin: Wash with soap and water. Remove contaminated clothing.
• Eyes: Rinse cautiously with water for several minutes; remove contact lenses if present and easy to do; continue rinsing.
• Ingestion: Rinse mouth; do not induce vomiting; seek medical attention.

Spill and waste handling:

• Small spills: Absorb with inert material (vermiculite), collect for disposal. Prevent entry into drains.
• Disposal: Handle as organic laboratory waste in accordance with institutional and local regulations.

Always refer to the product’s SDS and institutional EHS guidance for definitive safety measures.

Solvent Selection

Item-specific solubility is not provided; select solvents based on general behavior of polyfunctional small molecules and analytical workflows.

General recommendations (literature/practice):

• Stock solutions for LC–MS: anhydrous DMSO, methanol, or acetonitrile often provide reliable solubilization. For immediate dilution to aqueous systems, use MeOH/H2O or ACN/H2O (with 0.1% formic acid or 2 mM ammonium formate, as appropriate to your MS method).
• For stability screens: compare neat organic (DMSO, MeOH, ACN) vs buffered aqueous mixtures (pH 3–7). Avoid strong base and prolonged high-pH exposure that can accelerate ester hydrolysis in prodrug scaffolds (general guidance).

Polarity and miscibility (general):

• Expected to be polar to moderately polar due to multiple heteroatoms; miscible with polar organics; variable water solubility depending on salt form (literature/general trend).

When to choose each solvent:

• DMSO: highest solvating power; good for concentrated stocks; may require further dilution to reduce viscosity/ion suppression in LC–MS.
• Methanol: balances solubility and MS compatibility; commonly used for calibration standards.
• Acetonitrile: excellent for LC–MS; may require water or small acid modifier for complete dissolution.

Practical tips:

• Prepare 1–10 mM stocks in dry solvent, then aliquot and freeze at −20 °C. Thaw on ice and dilute freshly on the day of use.
• Always verify solvent compatibility with your chromatography and detection method.
• Consult the CoA/Spec Sheet for any item-specific solubility notes.

Storage and Reconstitution

• Storage conditions (from Product Data): Store at −20 °C. Shipped in an ice chest with ice pads to maintain cold chain.

Item-specific details not provided:

• Grade/purity, appearance, solvent content, and reconstitution solvent recommendations: Not specified for this item; refer to CoA/Spec Sheet.

General handling and reconstitution guidance (for deuterated small-molecule standards):

• Upon receipt: Verify the package remained cold. Allow the sealed container to equilibrate to room temperature before opening to minimize moisture condensation.
• Reconstitution: Prepare concentrated stocks (e.g., 1–10 mM) in anhydrous DMSO, methanol, or acetonitrile. If necessary, perform a small solvent screen to ensure complete dissolution. Avoid aqueous media for initial dissolution to limit hydrolysis of ester functionalities.
• Aliquoting: Dispense single-use aliquots into inert vials to avoid repeated freeze–thaw cycles. Flush headspace with inert gas (N2/Ar) if long-term storage is anticipated.
• Storage of solutions: Keep at −20 °C or colder. Protect from light and moisture. Record preparation date and solvent on the vial.
• Stability checks: Periodically confirm identity and purity by LC–MS. Monitor for hydrolysis products or deuterium loss at exchangeable positions under your specific storage conditions.

Always consult the CoA/Spec Sheet and SDS for lot-specific guidance and safety information.

Structure and Identity

Moexipril-d is described as a deuterium-labeled analog of the small-molecule compound moexipril. Item-specific structural identifiers are not provided in the Product Data.

• SKU: M1417382
• Product name: Moexipril-d (deuterated analog)
• CAS: M1417382 (catalog placeholder; not a registry number)
• 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.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

Structural features (general, literature context for non-deuterated moexipril):

• Moexipril is a prodrug that is structurally related to dipeptidyl carboxylate inhibitors and contains an ester functionality that hydrolyzes to the active diacid (moexiprilat) in biochemical systems (literature/general knowledge).
• Typical functionality (literature): secondary/tertiary amine, carboxylic acid derivative(s), and an aliphatic/aryl-ether/ester framework conducive to ACE-binding motifs; one or more stereocenters are present in non-deuterated moexipril.

About the deuterated form (general):

• “-d” indicates one or more hydrogen atoms in the parent structure are replaced with deuterium (2H). The exact labeling pattern and isotopic enrichment are not specified for this item; refer to CoA/Spec Sheet.

2D description (general for moexipril scaffold, literature):

• A polyfunctional molecule featuring an amino acid–like substructure attached via an alkyl/aryl linker to an ester-bearing moiety. The deuterated analog preserves the same heavy-atom connectivity; only selected hydrogens are isotopically substituted. Exact positions not specified for this item.

Synthetic Utility

While Moexipril-d is primarily intended as an isotopically labeled reference material, general synthetic considerations relevant to moexipril-like scaffolds are noted for context (literature/general):

• Functional group landscape: ester(s), amide(s)/carboxylate(s), and amine functionality enable selective protection/deprotection strategies. Typical protecting groups include Boc/CBz for amines and tert-butyl/methyl esters for acids.
• Prodrug assembly: esterification of the active diacid (moexiprilat analog) affords the prodrug; maintaining stereochemistry at chiral centers is crucial. For deuterated variants, perform labeling early (building-block level) to ensure non-exchangeable incorporation and avoid H/D scrambling.
• Coupling chemistry: peptide-like coupling methods (e.g., EDCI/HOBt, HATU, or CDI) can join carboxyl and amine fragments; control over epimerization is necessary.
• Purification: reversed-phase chromatography is often effective given polarity; monitor by LC–MS with selected ion monitoring for deuterated masses.
• Stability: avoid strong base and prolonged aqueous heating to minimize ester hydrolysis and deuterium loss at exchangeable positions.

Note: No item-specific synthetic route, labeling positions, or enrichment level are provided; consult the CoA/Spec Sheet if the material is to be used as a precursor or benchmark in synthetic method development.

Target Specificity

No target, binding partner, or biological specificity data are provided for this catalog item.

• Target, clone/isotype, species reactivity, and epitope mapping are not applicable to this small-molecule standard and are not specified for this item.

For biochemical studies, consult primary literature on the non-deuterated parent molecule if mechanistic target information is needed, and validate under your specific experimental conditions.