NL-103 , CAS No.1788896-33-2

CAS: 1788896-33-2 Cat. No.: N1426648 Formula: C₂₆H₂₇Cl₂N₅O₄ Molecular Weight: 544.43

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

NL-103 is an inhibitor of histone deacetylases ( HDACs ) and Hedgehog , with the IC 50 values ​​of 21.3 nM, 57 nM, 74 nM, and 680 nM for HDAC1 , HDAC2 , HDAC3 , and HDAC6 , respectively. NL-103 can downregulate the expression of Gli2. NL-103 can be used in anti-cancer research.

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.

Action Type

INHIBITOR

Names and Identifiers

Molecular Weight

544.43

Application Protocols

Item-specific facts (from Product Data)

• No tested applications or protocols are provided for NL-103.

General guidance for small-molecule handling in screening assays (for research use only)

• Stock preparation: Prepare 10–50 mM solutions in anhydrous DMSO. Record exact concentration (by weight-in or quantitative NMR) and lot number.
• Plate handling: Use low-bind polypropylene plates/tubes. Maintain consistent DMSO content across all wells. Seal plates to minimize evaporation; allow temperature equilibration before dispensing.
• Dilution: Perform serial dilutions in DMSO, then back-dilute into assay buffer to desired final concentration, keeping DMSO ≤1% v/v unless assay supports higher.
• Controls: Include vehicle controls (DMSO), positive/negative assay controls, and, if relevant, detergent controls to assess aggregation artifacts.
• Analytics: Verify compound in-well concentration by LC–MS for critical studies and check for precipitation or color interference (UV/fluorescence) as appropriate.

Documentation

• Attach SDS and CoA to your ELN entry. Record storage conditions and freeze–thaw cycles for data integrity.

Biological Roles

Applicability note

• The listing provides no biological target, pathway, or functional annotation for NL-103. As such, no specific biological roles can be ascribed from the product data.

General considerations for small-molecule library members (for research use only)

• Library compounds may be evaluated in enzyme, receptor, ion-channel, or cell-based assays to explore structure–activity relationships (SAR) and to seed hit-identification campaigns. Any inferred “role” must be established experimentally and cannot be assumed from this listing.
• If biological testing is planned, determine or obtain the compound’s structure to assess liabilities (reactive substructures, PAINS motifs) and physicochemical properties (cLogP, pKa, TPSA) that influence permeability and solubility.
• Establish stability in assay media (buffer composition, redox environment, light exposure) and adsorption to plastics to ensure reliable potency readouts.

Compliance note

• No clinical or therapeutic claims are made or implied. This product is supplied strictly for research use only, consistent with the catalog note.

Buffer Applications

Not typically applicable

• NL-103 is a discrete small-molecule library compound, not a buffering reagent. It does not define or control pH in solution and is not intended as a buffer component.

Practical notes for assay buffers (general)

• When preparing assay solutions that contain NL-103, choose buffers that maintain solubility and chemical stability of organic small molecules (e.g., 10–50 mM HEPES, PBS, or Tris, pH appropriate to the assay).
• Maintain DMSO content consistently across wells/samples (commonly 0.1–1% v/v) to avoid solvent-related assay artifacts.
• If NL-103 carries ionizable groups (unknown here), buffer pH relative to predicted pKa will influence solubility and permeability; determine pKa once the structure is available.

Green Alternatives

Context

• NL-103 is a cataloged small-molecule library member. “Greener alternative” assessments typically apply to solvents or bulk reagents. For a discrete research compound, substitution is generally not applicable unless the compound serves as a functional surrogate in an assay or material application.

If the compound is used as a process reagent (unlikely here)

• Consider whether another molecule with similar assay-relevant properties (e.g., logD, pKa, chromophore) but improved environmental, health, and safety (EHS) profile could be substituted. This requires knowledge of the structure and hazard profile, which are not provided.

General green chemistry practices for handling small library compounds

• Minimize DMSO/DMF usage via concentrated stocks and acoustic dispensing.
• Use microscale assays to reduce solvent consumption and waste.
• Prefer aqueous buffers and ethanol over high-toxicity solvents where solubility permits.
• Consolidate analytical runs to reduce mobile-phase waste; use LC gradients with reduced flow and shorter columns when feasible.

Item-specific data

• No hazard or environmental fate data are provided for NL-103. A formal alternatives assessment is not possible without structure or SDS. Refer to your organization’s green-screening tools once the CoA/SDS information is available.

Pharmaceutical Uses

Applicability note

• No pharmacopeial status, excipient role, or formulation guidance is provided for NL-103. It is listed as a research-use small-molecule library compound.

Professional guidance (non-clinical, research only)

• If used in preformulation research, characterize solid form (XRPD/DSC/TGA), hygroscopicity, and solution stability (pH/oxidation/light) to guide solvent and vehicle selection for in vitro work.
• For in vivo research (if conducted under appropriate approvals), determine vehicle compatibility (e.g., PEG400/saline, Captisol, 10% DMSO + 40% PEG400 + 50% saline) only after structure and stability are known. No such uses are endorsed or implied by the product listing.

Compliance

• No therapeutic, diagnostic, or clinical use is claimed or permitted. For research use only.

Physical Properties

Item-specific facts (from Product Data)

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

Typical/literature or computed data

• Boiling point, melting point, density, refractive index, logP, pKa, solubility profile: Not specified for this item; refer to CoA/Spec Sheet.

Professional guidance

• In the absence of declared physical constants, treat NL-103 as a generic small-molecule screening compound. For handling/solution prep:
  • Start with DMSO stock solutions (e.g., 10–50 mM) and evaluate aqueous compatibility by dilution into assay buffer (0.1–1% DMSO final).
  • If solid form is received, determine approximate melting onset by a quick capillary test to inform thermal stability boundaries for weighing and drying.
  • Establish empirical solubility in common solvents (DMSO, DMF, acetonitrile, methanol, ethanol, water, PBS) at room temperature and 37 °C; record in ELN.
• Hygroscopicity and polymorphism are unknown from the listing; minimize ambient exposure and use desiccation and low-temperature storage as specified under Storage & Reconstitution.

Quality and Grades

Item-specific facts (from Product Data)

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

Interpreting quality information (professional guidance)

• For screening compounds, vendors typically report HPLC area purity and identity by MS/1H NMR. In the absence of a declared specification, verify:
  • HPLC purity method (column chemistry, gradient, detection wavelength) and reporting basis (area% vs. weight%).
  • Identity confirmation: exact mass (HRMS if available), diagnostic NMR peaks, and, if chiral, enantiomeric excess/ratio method.
• If your application is SAR/HTS:
  • Aim for ≥95% HPLC purity for primary screening; ≥98% for hit confirmation and mechanistic assays.
  • Confirm counter-ion/solvate content and water content (KF) when potency is reported as molar concentration.
• If your application is analytical calibration or reference standard work:
  • Request traceable purity assessment (qNMR) or use an internal calibration strategy.
• Stabilizers/additives: Not specified for this item; refer to CoA/Spec Sheet.

Documentation

• Retain CoA and SDS with the lot number used. For regulated workflows, qualify the lot internally (ID, purity, stability) and record storage/shipping conditions (see below).

Reaction and Applications

Applicability note

• NL-103 is listed under a small molecule/compound library category. In typical use, such materials are employed as screening hits, reference standards, or tool compounds rather than as synthetic reagents.

If using as a synthetic intermediate (general guidance)

• Without a disclosed structure, reaction planning must await structural information from the CoA/specification. Once the functional groups are known, standard transformations (protection/deprotection, cross-coupling, oxidations/reductions) can be evaluated.
• For any transformation, first confirm compound purity and identity by LC–MS and NMR to ensure reliable reaction outcomes.

Applications more typical for library compounds

• Assay development and method qualification: use to validate LC–MS quantitation, carryover studies, and recovery from biological or polymer matrices.
• Physicochemical profiling: determine intrinsic solubility, lipophilicity (shake-flask logD), and stability (chemical and microsomal, if applicable to your research) for internal datasets.
• Solid-state and formulation studies for research: screen crystallization/solvate forms to enable reliable weighing and solution preparation.

Important

• No biological activity, target class, or mechanism is provided in the listing. Avoid assuming mode of action or using it as a control without internal characterization. All uses are for research only.

Reaction Conditions

Item-specific reaction conditions are not applicable because NL-103 is supplied as a finished small-molecule library compound rather than a reagent with a defined reactive function.

If chemical transformations are undertaken after structure disclosure (general literature guidance)

• Solvents: Choose based on functional groups (e.g., polar aprotic for cross-couplings; alcohols for substitutions where solvolysis is beneficial).
• Temperatures: Start at ambient; escalate cautiously while monitoring stability by LC–MS. Many drug-like scaffolds show decomposition above 120–150 °C or under strong acid/base.
• Atmosphere: Use inert gas (N2/Ar) for air- or moisture-sensitive motifs (boronates, organometallic intermediates).
• Catalysts/bases: Match to transformation (e.g., Pd catalysts with appropriate ligands for aryl halide couplings; carbonate/alkoxide bases for SNAr on activated heteroarenes).
• Workup/purification: Favor minimal aqueous workups when solubility is unknown; use cartridge SPE to pre-screen retention; employ reverse-phase prep LC for complex, polar scaffolds.

Expected yields

• Not specified; yields vary with scaffold and transformation. Establish stability-indicating analytical methods before scale-up.

Safety and Handling

Item-specific hazards (from Product Data)

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

General laboratory precautions (professional guidance; defer to SDS as authoritative)

• PPE: Use lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., disposable nitrile). Handle powders in a fume hood or ventilated enclosure to avoid dust/aerosol inhalation.
• Incompatibilities: Unknown for this item. As a conservative approach, avoid strong oxidizers and strong acids/bases until compatibility is verified.
• First aid (summary):
  • Skin/eye contact: Rinse with water for ≥15 min; remove contaminated clothing; seek medical evaluation.
  • Inhalation: Move to fresh air; provide oxygen if needed; obtain medical attention.
  • Ingestion: Rinse mouth; do not induce vomiting; seek medical attention. Always follow SDS instructions.
• Spill/leak response: Avoid dust formation; collect with inert absorbent; place in a suitable waste container for organic solids/solutions per institutional guidelines.
• Fire safety: If combustible organic, use CO2, dry chemical, or foam extinguishers. Avoid water jets unless compatible with material form.
• Waste: Dispose as organic chemical waste. Do not release to drains.

Notes

• No specific toxicological, sensitization, or environmental data are provided in the listing. Treat as potentially harmful; limit exposure and quantities used. Always consult the product’s SDS prior to first use.

Solvent Selection

Item-specific facts (from Product Data)

• No declared solubility or solvent preferences are provided.

General guidance for small-molecule screening compounds

• Primary stock solvent: DMSO is typically preferred due to broad solvating power and assay compatibility at 0.1–1% v/v.
• Secondary options: DMF and NMP for difficult-to-dissolve chemotypes; methanol, ethanol, and acetonitrile for LC compatibility; buffered aqueous media after cosolvent predissolution.
• Practical workflow:
  • Start with 10–50 mM in anhydrous DMSO. Vortex/sonicate and warm to 37–40 °C if needed (avoid prolonged heat).
  • Filter 0.22 µm for sterile applications; verify no adsorption losses.
  • Assess solubility limits by incremental dilution into assay buffer (with surfactants like 0.01% Tween-20 if compatible).

Selection considerations

• If compound shows limited DMSO solubility, test DMF or a ternary system (DMSO:MeOH:water).
• For LC/LC–MS analytics, prefer acetonitrile:water with 0.1% formic acid or ammonium buffers; dissolve first in DMSO/MeOH as needed.
• Avoid reactive solvents (strong acids/bases) until chemical functionality is known from the CoA/structure.

Comparison snapshot (general)

• DMSO: highest likelihood of dissolution; widely biocompatible at low %.
• MeOH/EtOH: good for polar/ionizable motifs; volatility aids drying.
• ACN: LC-friendly; lower proticity may limit some salts.

Storage and Reconstitution

Item-specific facts (from Product Data)

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

Professional guidance

• Keep container tightly closed under dry, inert atmosphere if possible. Protect from light until stability with respect to light is known.
• Solid material: Equilibrate to room temperature in a desiccator before opening to avoid condensation. Reseal promptly; store with desiccant.
• Solution stocks: If preparing DMSO or other solvent stocks, aliquot into single-use vials to minimize freeze–thaw. Typical working stocks: 10–50 mM in anhydrous DMSO. Store at -20 °C or -80 °C depending on stability; avoid repeated freeze–thaw cycles.
• Thawing: Warm gently to room temperature and vortex to ensure homogeneity. Inspect for precipitation or phase separation after dilution into aqueous media.
• Stability/shelf life: Not specified for this item; refer to CoA/Spec Sheet. Establish in-house stability by periodic LC–MS/HPLC checks.

Disposal

• Dispose of unused solutions and waste per local regulations for organic laboratory chemicals.

Note

• For research use only, as stated in the catalog. Always consult the product’s CoA and SDS for lot-specific handling and stability guidance.

Structure and Identity

Item-specific facts (from Product Data)

• Product name: NL-103 (SKU: N1426648)
• CAS: 1788896-33-2
• 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 description

• Structural features, ring systems, functional groups, and stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

Notes for identification and sourcing

• For definitive identity confirmation, consult the item’s Certificate of Analysis (CoA) for NMR, LC–MS, HRMS, and HPLC purity traces when available.
• If you will use orthogonal analytical methods (qNMR, LC–MS), request or determine the exact structure (SMILES/InChI) to build internal reference libraries and to support audit trails in HTS/medchem workflows.
• Recommended identifiers for ELN/LIMS: SKU N1426648; CAS 1788896-33-2; internal lot number (from label/CoA).

Synthetic Utility

Applicability note

• NL-103 is offered as a small-molecule library member. Without a disclosed structure, it is not possible to provide functional-group–specific synthetic guidance.

General strategies if derivatization is desired (after structure is known)

• Map reactive handles (halides, boronates, alkenes/alkynes, carbonyls, anilines, phenols) to enable late-stage diversification via cross-coupling (Suzuki–Miyaura, Buchwald–Hartwig), electrophile/nucleophile substitutions, or heteroatom functionalization.
• If chiral, consider enantioenrichment strategies (SFC prep, diastereomeric salt formation) and enantiospecific transformations.
• Protecting-group strategy should balance stability under assay-relevant conditions vs. synthetic convenience; avoid moieties that may confound biological screening (e.g., alkylating warheads) unless intended.

Analytical controls

• Prior to any synthetic manipulation, confirm identity/purity by LC–MS and NMR. For route scouting, run small-scale reactions and monitor by LC–MS to avoid material loss of rare library compounds.

Target Specificity

Item-specific facts (from Product Data)

• No target, epitope, isotype, or species reactivity information is provided. This section is generally applicable to biologics/antibodies, not small organic compounds.

Note

• If NL-103 is evaluated as a tool compound in target-based assays, any specificity or selectivity profile must be determined experimentally and documented in your internal reports. No such information is provided in the catalog listing.