Lenvatinib-d - ≥99% , CAS No.2264050-65-7

CAS: 2264050-65-7 Cat. No.: L1450799 Formule: C₂₁H₁₅D₄ClN₄O₄ Poids moléculaire: 430.88

GRADE & PURITY ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

Lenvatinib-d 4 is the deuterium labeled Lenvatinib. Lenvatinib (E7080) is an oral, multi-targeted tyrosine kinase inhibitor that inhibits VEGFR1-3, FGFR1-4, PDGFR , KIT, and RET , showspotent antitumor activities.

Specifications

Spécifications et pureté

≥99%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

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

Pureté

≥99%

Noms et identifiants

• Poids moléculaire: 430.88

Application Protocols

No item-specific, tested application protocols are provided in the Product Data.

General protocols for use as an LC–MS/MS internal standard (guidance; not item-specific specifications):

• Weighing: Allow vial to equilibrate to room temperature in a desiccator. Quickly weigh the required amount to minimize moisture uptake.
• Stock solution: Dissolve to 1–10 mM in DMSO/MeOH/ACN. Record exact concentration gravimetrically or by quantitative NMR when accuracy is critical.
• Calibration/QC: Prepare calibration standards by spiking a fixed concentration of the deuterated standard into blank matrix; construct a standard curve with the non-deuterated analyte.
• Extraction: Spike internal standard prior to extraction (protein precipitation, LLE, SPE) to correct for recovery and matrix effects.
• LC–MS settings: Optimize MRM transitions to target the +D mass shift; confirm co-elution and absence of interference. Evaluate at least two transitions (quantifier/qualifier).
• Stability: Validate short-term bench-top, autosampler (4–10°C), freeze–thaw, and long-term frozen stability per your SOPs.

For other applications (e.g., mechanistic KIE studies), tailor the protocol to the reaction system and verify that labeled positions are retained under conditions used.

Biological Roles

Item-specific biological/biochemical roles: Not specified for this item; refer to primary literature for the non-deuterated parent compound if relevant to your project.

General considerations for deuterated analogs in biochemical research:

• Functional equivalence: Deuterated molecules typically retain the same binding interactions and overall biochemical roles as their protiated counterparts, with minor differences possible if C–H bond cleavage is rate-limiting (kinetic isotope effects).
• Use in bioanalytical quantitation: Isotopically labeled standards correct for matrix effects, variable extraction recovery, and ion suppression/enhancement in LC–MS/MS assays.
• Metabolism studies: Strategic deuteration at metabolic soft spots can slow oxidative dealkylation or aromatic hydroxylation, allowing mapping of metabolic pathways in microsomes, S9, or hepatocytes.
• Transport and distribution: Physicochemical properties remain largely unchanged; however, confirm that the labeled positions are stable in biological matrices to avoid deuterium loss or exchange.

Important: This product is supplied strictly for research use only. No medical, diagnostic, or therapeutic claims are made or implied.

Buffer Applications

This product is a small-molecule standard and is not a buffering agent. Therefore, conventional buffer system guidance (pKa windows, buffer capacity, recipes) does not apply.

Practical notes for solution preparation:

• If preparing aqueous working solutions, dissolve first in a miscible organic cosolvent (e.g., DMSO, MeOH, or ACN), then dilute into buffer (e.g., ammonium formate/acetate, phosphate) as compatible with your analytical method.
• Maintain organic content sufficient to keep the analyte in solution (often 1–20% v/v), validated empirically.
• Filter or centrifuge to remove particulates prior to LC–MS injection to protect columns and sources.

Green Alternatives

Context: This product is a deuterated small molecule standard rather than a process solvent or bulk reagent. “Green alternatives” primarily pertain to how you formulate, use, and dispose of solutions rather than to the molecule itself.

Greener practice considerations (general):

• Solvent choice: Prefer ACN or MeOH over chlorinated solvents for stock and sample prep. Consider water-rich mobile phases with minimal organic content compatible with your LC–MS method.
• Miniaturization: Use micro-scale preparations and 96/384-well workflows to reduce solvent consumption and waste.
• Waste segregation: Collect DMSO/MeOH/ACN wastes separately from halogenated solvents; label isotopically labeled material containers for proper tracking.
• Reusability: When feasible, prepare intermediate-concentration master mixes for multiple assays to reduce repeated weighing and solvent usage, balancing with stability requirements.

Comparison table (general solvent/environmental trade-offs):

• DMSO: High solvency; higher energy for distillation; low volatility reduces inhalation exposure but complicates waste.
• MeOH: Renewable routes available; toxic but readily biodegradable; high volatility.
• ACN: Efficient LC–MS performance; nitrile waste requires appropriate handling; moderate toxicity.

Note: There is no practical “green substitute” for the isotopic label; focus sustainability efforts on solvent, scale, and workflow.

Pharmaceutical Uses

Formulation/excipient status for this item: Not specified for this item; refer to CoA/Spec Sheet. This product is intended for research use only.

General, non-clinical context for deuterated standards:

• Bioanalytical calibration: Used to generate calibration curves and quality control samples for quantitative assays of the corresponding non-deuterated analyte during drug discovery and preclinical development.
• Method development: Supports validation of accuracy, precision, recovery, matrix effects, and stability per regulatory guidance for bioanalytical method validation (e.g., internal standards in LC–MS/MS).
• Manufacturing analytics: May serve as a reference standard for in-process control and release testing of the parent compound using mass spectrometric methods.

No therapeutic, diagnostic, or clinical claims are made or implied for this catalog item.

Physical Properties

Item-specific properties (from Product Data):

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

Typical/literature considerations for deuterated small molecules (general guidance; not product specifications):

• Melting/boiling point: Deuteration typically shifts vibrational modes slightly; macroscopic phase-change temperatures are usually very close to the non-deuterated analog, often within a few degrees.
• Solubility: Deuteration generally does not materially change solubility in common organic solvents; however, site-specific labeling and salt form can influence behavior. Verify experimentally.
• LogP/logD: Typically similar to the unlabeled compound. Minor isotope effects may occur but are rarely operationally significant.
• Spectroscopy: IR bands involving C–D stretching appear at lower frequency than C–H. 1H NMR signals are diminished/absent at labeled positions; 2H NMR can confirm deuterium incorporation.
• MS: Molecular ion is higher by +1 Da per deuterium introduced; exact mass shift depends on the labeling pattern.

Quantitative values (BP, MP, density, refractive index, pKa, solubility):

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

Quality and Grades

Item-specific quality information:

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.

General guidance on quality for deuterated small molecules:

• Isotopic enrichment: For analytical/internal standard use, the percentage of deuterium incorporation at labeled positions is critical. Review the CoA for percent D incorporation, labeling pattern, and any residual protiated species.
• Chemical purity vs. isotopic purity: Distinct metrics. Chemical purity refers to non-isotopic impurities; isotopic purity refers to labeling completeness. Both affect quantitation accuracy.
• Residual solvents, water, and stabilizers: Not specified for this item; refer to CoA/Spec Sheet. For LC–MS applications, low non-volatile residue and low background are preferred.
• Documentation: Request batch-specific CoA containing HPLC/UPLC chromatograms, MS isotopic distribution, NMR confirmation, and assay data. This is particularly important for quantitative bioanalysis and metabolism studies.

Implications:

• For LC–MS internal standards, even small amounts of unlabeled (d0) parent can bias quantitation. Confirm that d0 content is within acceptable limits for your method.

Reaction and Applications

Manufacturer Applications (verbatim): Not provided.

Applied research uses (general for deuterated small molecules; not item-specific claims):

• Internal standards for LC–MS/MS quantitation of the corresponding non-deuterated analyte in complex matrices (plasma, tissue homogenates, cell lysates, environmental samples). The mass shift (+1 Da per D) enables selective MRM transitions.
• Metabolic and mechanistic studies leveraging primary or secondary kinetic isotope effects to probe C–H bond cleavage steps, or to modulate metabolic soft spots in in vitro systems.
• Recovery/tracking experiments: spike-and-recover to measure extraction efficiency and matrix effects in sample preparation workflows (SPE, LLE, SLE).
• Stability assessments: parallel studies comparing labeled vs. unlabeled compound under stress conditions (pH, temperature, light, oxidants) to identify degradation pathways.

Practical tips:

• Document the exact labeling pattern to avoid co-elution/fragment interference with endogenous species or metabolites.
• Optimize MRM transitions to minimize back-exchange or hydrogen–deuterium scrambling in the source; prefer fragments that retain the deuterium label.
• Prepare fresh working solutions; minimize repeated freeze–thaw of concentrated stocks to preserve integrity.
• Validate linearity and isotope-dilution accuracy across the target concentration range.

Reaction Conditions

This product is typically used as an analytical standard rather than as a reagent in chemical transformations; therefore, “reaction conditions” in the classic synthetic sense are not usually applicable.

General handling/solution preparation conditions for LC–MS standards:

• Stock concentration: Commonly 1–10 mM in DMSO, MeOH, or ACN (general practice; not a specification). Verify chemical stability at intended concentration and temperature.
• Working solutions: Prepare daily or as validated; dilute with LC–MS mobile phase or buffer/organic mixtures (e.g., water/ACN with 0.1% formic acid) to the desired ng/mL–µg/mL range.
• Temperature: Room temperature during weighing and dissolution; store stocks chilled as per Storage section to minimize degradation.
• Light sensitivity: If the parent compound is photolabile, use amber vials and minimize exposure; confirm for this item from CoA/SDS.

Expected performance (literature/general):

• MS response: The deuterated analog should co-elute closely with the non-deuterated analyte; select transitions that retain deuterium to avoid overlap with endogenous fragments.
• Stability checks: Conduct short- and long-term stability tests (bench-top, autosampler, freeze–thaw, long-term) following standard bioanalytical validation practices.

Safety and Handling

Item-specific hazard data:

• GHS Classification: Not specified for this item; refer to SDS.
• Signal Word: Not specified for this item; refer to SDS.
• H-Statements: Not specified for this item; refer to SDS.
• Pictograms: Not specified for this item; refer to SDS.

General laboratory precautions (for small-molecule research chemicals):

• Use in a chemical fume hood. Avoid inhalation, ingestion, and skin/eye contact.
• Recommended PPE: lab coat, suitable gloves (e.g., nitrile), safety glasses or goggles. Consider double-gloving for prolonged handling.
• Avoid generating dust/aerosols; handle solids gently. For solutions, cap tightly to prevent evaporation and contamination.
• Storage incompatibilities: Keep separate from strong oxidizers and strong acids/bases unless compatibility is confirmed.
• First-aid overview: In case of skin/eye contact, rinse with water for ≥15 minutes; remove contaminated clothing. If inhaled, move to fresh air. If ingested, rinse mouth; do not induce vomiting. Seek medical attention as appropriate.

Additional notes:

• For deuterated compounds, no special hazard is implied solely by isotope substitution; follow the same safety measures as for the non-deuterated analog.
• Always consult the product’s SDS for authoritative information before use.

Solvent Selection

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

General solvent guidance for deuterated small molecules used as LC–MS standards:

• Stock solutions: Commonly prepared in DMSO, methanol, or acetonitrile at 1–10 mM, then diluted into aqueous mobile phase containing 0.1% formic acid or appropriate buffer. Choose solvent based on analyte polarity and stability.
• Miscibility and polarity: DMSO and MeOH are high-polarity, water-miscible solvents that aid dissolution of polar/heteroaromatic analytes. ACN offers lower viscosity and strong LC–MS compatibility.
• Salt/form effects: Free bases/acids may dissolve differently than salt forms. If a salt is supplied, consider water/MeOH; for free base/neutral forms, ACN/DMSO may be preferable.
• Adsorption minimization: Include 0.1–1% DMSO or MeOH in diluents to reduce adsorption losses to plastic/glass at low ng/mL levels.

Comparison (general):

• DMSO: maximal solubilizing power; higher viscosity; good freezer stability.
• MeOH: rapid mixing, good LC–MS compatibility; may affect peak shape for very hydrophobic analytes at high fractions.
• ACN: low viscosity, strong elution in reversed-phase; may have lower solubilizing power for very polar compounds.

Always verify solubility and stability experimentally for your specific matrix.

Storage and Reconstitution

Item-specific storage and shipping (from Product Data):

• Storage Conditions: Store at 2–8°C.
• Shipped In: Wet ice.

Reconstitution and handling (general guidance for small-molecule standards; not specifications):

• Upon receipt: Inspect the vial for integrity. Allow to equilibrate to room temperature before opening to prevent condensation.
• Reconstitution: Dissolve in a suitable dry, LC–MS–compatible solvent (e.g., DMSO, MeOH, or ACN). If hygroscopic, minimize exposure to ambient humidity.
• Aliquoting: Prepare small, single-use aliquots in inert vials (glass with PTFE-lined caps) to avoid repeated freeze–thaw and adsorption losses.
• Short-term storage: Working solutions can be kept at 2–8°C for limited periods if stability is established. Use amber vials if the compound is light-sensitive.
• Long-term storage: For extended stability, many small-molecule standards are stored at ≤−20°C once in solution; verify for this item via CoA/your own stability study.
• Documentation: Label aliquots with concentration, solvent, date of preparation, and lot number. Track freeze–thaw cycles.

Note: For research use only. Always consult the SDS and the batch CoA/Spec Sheet for definitive guidance on stability, solubility, and safe handling.

Structure and Identity

Item-specific identifiers (from Product Data):

• SKU: L1450799
• Product Name: Lenvatinib-d
• CAS: 2264050-65-7
• 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.

General notes (literature/general):

• “-d” denotes a deuterated analog of a parent small molecule. Deuteration replaces one or more protium (1H) atoms with deuterium (2H), typically without changing formal connectivity.
• Deuterated analogs are commonly used as isotopically labeled internal standards in quantitative LC–MS/MS due to near-identical chromatographic behavior and slightly mass-shifted MS signals.
• Absent a provided structure, no ring/functional group description can be asserted for this specific item. If structural details are needed (e.g., labeled positions, number of D atoms), consult the CoA/Spec Sheet for this SKU.

2D structure description:

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

Synthetic Utility

As an isotopically labeled small molecule, this product is typically a final-state reference standard rather than a building block. Consequently, its utility in multistep synthesis is limited.

General synthetic relevance of deuterated compounds:

• Mechanistic probes: Strategic deuteration allows interrogation of rate-determining steps via kinetic isotope effects (KIE), supporting Hammett/KIE analyses and elucidation of C–H activation pathways.
• Tracer studies: Deuterium-labeled substrates help track hydrogen transfer, exchange processes, and scrambling under catalytic conditions.
• Spectroscopic assignment: Facilitates NMR signal assignment (suppression or shifting of 1H signals) and IR band interpretation (C–D vs. C–H stretching regions).

If the goal is deuterium incorporation into a target scaffold:

• Common methods include H/D exchange under acidic/basic conditions, catalytic deuteration (Pd/C, D2), directed metalation followed by quench with D2O, or synthesis from deuterated building blocks. Selection depends on the positions to be labeled and exchange lability.

For this specific item, consult the CoA for the labeling pattern before using it in mechanistic or tracer experiments.

Target Specificity

Not applicable. This product is a small-molecule standard and not a biologic/antibody. No antigen, clone, isotype, or species reactivity applies.

If biological target engagement data are needed for the non-deuterated parent compound, consult primary literature. Such information is not specified for this catalog item.