Lumateperone - Moligand™, 10 mM in DMSO , CAS No.313368-91-1

CAS: 313368-91-1 Cat. No.: L1498719 Formula: C₂₄H₂₈FN₃O Molecular Weight: 393.497 PubChem CID: 21302490

GRADE & PURITY Moligand™, 10 mM in DMSO

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Lumateperone (ITI-007) is an orally active 5-HT2A receptor antagonist (Ki = 0.54 nM), a partial agonist of presynaptic D2 receptors and an antagonist of postsynaptic D2 receptors (Ki = 32 nM), and a dopamine D1 receptor modulator. Lumateperone has anticancer activity and can also be used for the study of schizophrenia and bipolar depression.

Specifications

Specifications & Purity

Moligand™, 10 mM in DMSO

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Grade

Moligand™

Product Properties

ALogP

3.8

Names and Identifiers

Isomeric SMILES

CN1CCN2[C@H]3CCN(C[C@H]3C4=C2C1=CC=C4)CCCC(=O)C5=CC=C(C=C5)F

PubChem CID

21302490

Molecular Weight

393.497

Application Protocols

No vendor-validated application protocols are provided for this item. The following general workflow suggestions are common for small-molecule ligands and analytical reference standards:

• DMSO stock preparation:
  • Equilibrate vial to room temperature in the dark to prevent moisture condensation. Weigh quickly. Dissolve to 10 mM in anhydrous DMSO. Vortex/sonicate if needed.
  • Filter through a low-binding PTFE syringe filter if particulate remains. Dispense into amber, low-bind tubes in single-use aliquots. Store at −80 °C.
• Assay dilution (general):
  • Prepare serial dilutions in DMSO, then dilute into assay buffer to achieve ≤0.1–0.5% DMSO final concentration, unless your assay tolerates more.
  • Include vehicle controls matched to the highest DMSO percentage used.
• LC–MS reference use:
  • Prepare calibration standards across the expected concentration range in 50:50 water:ACN (or MeOH) with 0.1% formic acid, or as appropriate for the method. Verify stability of standards over the run.
• Documentation:
  • Record lot number, exact concentration, preparation date, and storage conditions. Link analytical runs to the corresponding CoA.

Adapt these steps to your institutional SOPs and specific assay requirements.

Biological Roles

No item-specific biological characterization is provided in the Product Data. The following notes describe general, literature-level context without medical claims.

• Literature context (high level, non-clinical):
  • Lumateperone is widely studied as a central nervous system (CNS)–relevant small molecule with reported interactions in monoaminergic signaling pathways in preclinical research literature. It is frequently used as a reference ligand in cellular and biochemical assays to probe receptor pharmacology and intracellular signaling outcomes.
  • Research applications include receptor-binding studies, functional assays (e.g., second messenger readouts), and transcriptomic/phenotypic profiling in neuronal cell models.
• Experimental considerations:
  • Adsorption to plastics and limited aqueous solubility can bias potency readouts; precondition plates or include low levels of non-ionic surfactant if consistent with assay requirements.
  • Carefully control DMSO percentage across assay plates; many neuronal cell lines are sensitive to >0.5–1% DMSO.
  • Verify lot-specific purity and form (free base vs. salt) from the CoA to ensure accurate molarity.

Important: No medical, diagnostic, or therapeutic use is intended or permitted. Interpret biological data in the context of your specific assay system and controls.

Buffer Applications

Not typically applicable. Lumateperone is not a buffering agent and is not used to prepare biological buffers. For work involving this small molecule, focus on solvent selection, stock preparation in DMSO, and controlled dilution into your assay buffer with attention to solubility and DMSO content.

Green Alternatives

Greener chemistry discussions generally pertain to solvents and common reagents. Lumateperone is a target compound/ligand and does not have a direct “green substitute.” Nevertheless, sustainable practices can be applied to its handling and analysis.

• Strategy for greener workflows (general guidance):
  • Minimize DMSO volume by preparing higher-concentration stocks and using low-dead-volume dispensing to reduce waste.
  • Favor LC–MS mobile phases based on water and ethanol where method performance allows; reduce acetonitrile consumption by gradient optimization.
  • Implement microplate formats and acoustic dispensing for low-volume assays to reduce solvent use and plastic waste.
  • Reuse cold-chain shippers and gel packs; consolidate orders to minimize transit emissions.
• Comparison of common diluents (general):
  • DMSO: excellent solvency; low volatility reduces emissions but complicates waste streams.
  • Ethanol: renewable, lower toxicity; may have limited solvency and assay compatibility.
  • MeOH/ACN: effective for LC–MS; flammable and toxic—optimize gradients to cut consumption.

Because this product is a specific small molecule, “alternative chemicals” are not applicable unless you are selecting a different control compound for a particular assay endpoint. Choose such alternatives based on scientific suitability rather than solely on green metrics.

Pharmaceutical Uses

This product is supplied strictly for research use and is not intended for human or veterinary use. No pharmacopeial status is claimed for this item.

• Relevant non-clinical, laboratory contexts:
  • Reference standard for analytical method development (e.g., HPLC/LC–MS quantitation, impurity profiling) in drug-discovery and preformulation studies.
  • Tool compound in preformulation screening to assess solubility, pH–solubility profiles, and excipient compatibility using small-scale approaches (e.g., solvent-shift, kinetic solubility in simulated media). These are general applications and not specifications for this item.
  • Stability-indicating method validation, including evaluation of degradation pathways under thermal, photolytic, oxidative, and hydrolytic stress.
• Documentation and compliance:
  • For regulated workflows, it is the user’s responsibility to determine suitability, establish reference standard qualification, and obtain/retain CoA, SDS, and any supporting analytical data from the specific lot.

No therapeutic or clinical claims are made or implied. Contact us if you require a qualified secondary standard or additional characterization to support a particular analytical protocol.

Physical Properties

Item-specific physicochemical constants were not provided for this catalog entry.

• Item-specific values:
  • 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.
• Storage conditions (from Product Data):
  • Protect from light; store at −80 °C. Shipped on dry ice packs + cold packs to maintain integrity.
• General handling implications:
  • Many bioactive, heteroatom-rich small molecules are solids with limited aqueous solubility and improved solubility in polar aprotic solvents (e.g., DMSO). This is general guidance and not a specification for this item.
• Literature/Computed (general, not item-specific specs):
  • For reference standard preparation, stock solutions are commonly prepared at 1–10 mM in anhydrous DMSO, then diluted into assay buffer immediately prior to use to minimize precipitation and adsorption losses.
  • Typical stability for similar chemotypes improves under desiccation, low temperature, and light protection. Avoid repeated freeze–thaw.

Important: Do not treat any physical constant as a product specification unless it appears on the CoA or product-specific spec sheet. For method development (e.g., LC–MS retention, UV spectra, or logP), verify against a primary reference corresponding to the exact lot.

Quality & Grades

This product is supplied under Aladdin’s Moligand grade, intended for discovery screening, reference standard work, and SAR studies.

• Item-specific grade (from Product Data):
  • Grade/Purity: Moligand™
• What Moligand typically implies (general description of the grade, not a specification):
  • High chemical purity suitable for biochemical screening and profiling.
  • Trace-level impurities controlled to support reproducible assay outcomes; typical characterization includes 1H NMR and LC–MS or HPLC purity assessment.
  • Packaged to minimize adsorption and photodegradation; shipped with enhanced cold-chain logistics.
• Documentation:
  • For this specific item, definitive purity, residual solvent levels, water content, and identity tests are Not specified for this item; refer to CoA/Spec Sheet.
  • CoA will list the exact analytical methods and acceptance criteria applicable to the shipped lot.
• Stabilizers/antioxidants:
  • Not specified for this item; refer to CoA/Spec Sheet.

If ultra-low UV background, quantitation-grade reference standards, or pharmacopoeial compliance are required, contact us with the SKU and intended use so we can advise on suitability or offer an alternative grade where appropriate.

Reaction & Applications

This product is primarily intended as a bioactive small-molecule standard for discovery and screening, not as a general synthetic reagent. Consequently, classical reaction applications (e.g., cross-coupling reagent, oxidant, base) are not typically applicable.

• Typical research uses (general, non-clinical):
  • Reference compound in receptor-binding panels, functional assays, and phenotypic screens.
  • Analytical reference for LC–MS/MS method development, stability-indicating assays, and forced-degradation studies.
  • Comparative control in structure–activity relationship (SAR) exploration.
• Practical notes:
  • Prepare and store DMSO stocks at −80 °C in light-protected aliquots; limit freeze–thaw cycles.
  • For analytical calibration, assess purity by HPLC/LC–MS from the CoA and correct concentrations for salt form and residual solvent/water if specified.
  • For stability studies, design stress conditions (oxidative, photolytic, thermal, hydrolytic) in line with ICH-Q1 recommendations; monitor by LC–MS.

If your goal is to derivatize or conjugate lumateperone, be aware that the molecule’s complex scaffold and basic functionality may limit straightforward modifications. Method development should be guided by preliminary micro-scale experiments and literature precedents for analogous chemotypes.

Reaction Conditions

Not directly applicable. Lumateperone is supplied as a finished small molecule for use as a reference/ligand in assays and analytical work, not as a reagent or coupling partner with defined reaction conditions.

• General analytical handling conditions (not product specifications):
  • Stock preparation: dissolve in anhydrous DMSO to 1–10 mM, aliquot, protect from light, and store at −80 °C.
  • LC–MS method development: start with aqueous formic acid or ammonium formate buffers (pH 3–4.5) and ACN/MeOH organic phases; optimize gradient to resolve degradation/impurity peaks.
  • Stability testing: stress under ICH-like conditions (photolysis, 40–60 °C heat, peroxide oxidation) at low milligram scale; analyze by LC–MS to establish degradation kinetics.

For any chemical transformations involving this scaffold, consult peer-reviewed literature for precedent and perform micro-scale feasibility studies before scale-up.

Safety & Handling

GHS hazard data were not provided for this specific item; always consult the SDS for authoritative safety information.

• Item-specific hazard fields (from Product Data):
  • Signal Word: Not specified for this item; refer to SDS.
  • H-Statements: Not specified for this item; refer to SDS.
  • GHS Classification/Pictograms: Not specified for this item; refer to SDS.
• General laboratory precautions for small-molecule bioactives:
  • Use in a chemical fume hood with appropriate PPE: lab coat, safety glasses, and suitable gloves (e.g., nitrile). Avoid inhalation of dusts or vapors and prevent skin contact.
  • Protect from light and heat. Maintain material at −80 °C as specified; minimize bench-time during weighing and solution prep.
  • Avoid incompatible conditions typical for organic bases and amines (general): strong oxidizers, strong acids/bases, and reactive acylating/alkylating agents unless used intentionally in a controlled synthesis.
• First-aid overview (general):
  • Inhalation: Move to fresh air; seek medical advice if symptoms persist.
  • Skin/eye contact: Rinse with water for several minutes; remove contaminated clothing; seek medical advice if irritation develops.
  • Ingestion: Rinse mouth; do not induce vomiting; obtain medical attention.
• Spills and disposal:
  • Small spills: Gently cover with inert absorbent, avoid dust generation, and collect for disposal per institutional chemical waste procedures.
  • Dispose of unused material and contaminated consumables as hazardous organic chemical waste.

Always defer to the current SDS for this SKU and lot for specific hazards, exposure limits, and spill/fire-fighting measures.

Solvent Selection

As a drug-like small molecule, lumateperone is typically handled as concentrated stock solutions for screening. Item-specific solubility data are not provided; follow the CoA and perform small-scale solubility checks.

• Practical solvent choices (general guidance, not product specifications):
  • DMSO (anhydrous): common primary solvent for 1–10 mM stocks; compatible with most biochemical and cell-based assays at ≤0.1–1% v/v final DMSO.
  • DMF or methanol: alternative solvents for method development and LC–MS sample prep; confirm assay compatibility.
  • Aqueous buffers: often require co-solvent (DMSO) or surfactant and pH control to avoid precipitation.
• Tips for robust dissolution:
  • Warm gently to room temperature; vortex and brief sonication. Avoid >40 °C and protect from light.
  • Prepare single-use aliquots to avoid freeze–thaw and concentration drift from evaporation.
• Comparison (general):
  • DMSO vs methanol: DMSO offers broader solubilization for polar/heteroatom-rich ligands; methanol can simplify LC–MS but may afford lower solubility.
  • Acetonitrile: useful as a diluent for LC–MS injections; less effective than DMSO for initial dissolution of many bases.

Always verify solubility and compatibility empirically with your assay matrix. For preparative work or reference calibrators, confirm concentration by UV or quantitative NMR where applicable.

Storage & Reconstitution

Follow the item-specific storage directives to preserve integrity and performance.

• Storage conditions (from Product Data):
  • Protected from light; store at −80 °C.
  • Shipped on dry ice packs + cold packs to maintain cold chain.
• Shelf-life and stability:
  • Specific expiry/retest dates are Not specified for this item; refer to CoA/Spec Sheet.
  • Minimize freeze–thaw. Use single-use aliquots. Keep containers tightly closed and under inert atmosphere if feasible (e.g., argon blanket) for long-term storage.
• Reconstitution guidance (general, not a specification):
  • Preferred solvent: anhydrous DMSO for concentrated stocks (e.g., 1–10 mM), unless the CoA recommends otherwise.
  • Allow vial to warm in a desiccated, dark environment before opening to prevent condensation. Weigh rapidly to limit ambient moisture exposure.
  • After dissolution, mix thoroughly, inspect for clarity, and if necessary, pass through a 0.2 µm PTFE filter to remove particulates.
• Working solution handling:
  • Prepare fresh dilutions immediately before use. Avoid prolonged light exposure and elevated temperature.
  • Document preparation date, solvent, and concentration on each aliquot.

For any deviations (e.g., alternative solvent systems or special handling), rely on your method SOPs and the lot-specific CoA.

Structure & Identity

Lumateperone is supplied as a research-use small-molecule ligand (Moligand class), intended for discovery screening and reference applications.

• Item-specific identifiers (from Product Data):
  • SKU: L1498719
  • Product Name: Lumateperone
  • CAS: 313368-91-1
  • Category Path: 全部 / 可售 / 小分子和化合物库
  • Research Use: For research use only
• Structural identifiers for this specific item:
  • Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
  • Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
  • InChIKey: Not specified for this item; refer to CoA/Spec Sheet.
  • SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• General structural notes (literature):
  • Lumateperone (also known in literature as ITI-007) is described as a drug-like polycyclic small molecule with multiple heteroatoms (N, O, and often halogen substitution reported in literature). It is typically represented as a single defined stereochemical entity in reference standards.
  • 2D depiction (qualitative, literature): a rigid, polycyclic scaffold bearing basic nitrogen functionality and aryl substitution consistent with CNS-relevant ligands.

Note: Where exact structure keys (SMILES/InChIKey), formula, and mass are needed for method setup or LC–MS libraries, consult the Certificate of Analysis (CoA) for this lot or an authoritative database using the provided CAS (313368-91-1) and CID (21302490).

Synthetic Utility

Lumateperone is a target molecule/ligand rather than a general-purpose reagent; its primary value in the lab is as a reference compound. Therefore, classic synthetic utility (as a catalyst, base, electrophile/nucleophile feedstock) is limited.

• When synthetic chemists engage with lumateperone (general):
  • As an analytical benchmark to confirm identity or purity of intermediates in convergent syntheses aimed at the same scaffold.
  • To develop and validate chiral/separation methods (SFC, chiral HPLC) against an authentic reference.
  • For degradation pathway mapping to inform route scouting and impurity fate-and-purge assessments.
• Considerations for derivatization (general):
  • Complex, polyfunctional scaffolds often contain basic nitrogens and activated aryl positions; selectivity is challenging. Protecting-group strategies and mild conditions are recommended if modification is pursued.
  • Salt selection (for analogs) can influence crystallinity and handling but should be guided by solubility/stability screening.

If your objective is synthesis of lumateperone itself, consult primary literature and patents for route design, stereochemical control, and late-stage functionalization choices; these details are outside the scope of this product listing.

Target Specificity

Not provided for this item. No target, epitope, or isotype information applies because this product is a small-molecule ligand rather than an antibody or protein reagent. For functional profiling or receptor-binding data, consult primary literature and generate in-house data under your assay conditions.

Frequently Asked Questions

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 ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 313368-91-1, the molecular formula is C24H28FN3O, and the molecular weight is 393.497 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.