DPP-4-IN-11 , CAS No.D1438707

CAS: D1438707 Cat. No.: D1438707 分子式: C₂₀H₂₀N₄O₃S₂ 分子量: 428.53

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

DPP-4-IN-11 (compound 10) is an orally active DPP-4 inhibitor ( IC 50 =2.75 μM) with anti-type 2 diabetes activity. DPP-4-IN-11 exerts its glucose-lowering effect by inhibiting the activities of α-glucosidase ( IC 50 =3.02 μM) and α-amylase ( IC 50 =3.3 μM).

Specifications

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

名前と識別子

分子量

428.53

Application Protocols

No item-specific, validated protocols are provided in the Product Data. The following is a general workflow for evaluating small-molecule DPP-4 inhibitors.

Example: Fluorogenic DPP-4 inhibition assay (general)

• Stock preparation: Dissolve DPP-4-IN-11 in anhydrous DMSO at 10–50 mM; aliquot and store at −20°C.
• Assay buffer: 50 mM Tris-HCl, 100 mM NaCl, pH 7.5; 0.01% Tween-20; 0.1 mg/mL BSA.
• Enzyme/substrate: Recombinant human DPP-4 and Gly-Pro–AMC substrate at concentrations near Km (optimize empirically).
• Plate setup: Maintain constant DMSO across wells (e.g., 0.5% v/v). Prepare a 10-point 3-fold serial dilution of inhibitor.
• Procedure: Pre-incubate enzyme with inhibitor for 10 min at 25–37°C. Initiate with substrate and read AMC fluorescence (Ex 360–380 nm/Em 440–460 nm) kinetically for 10–30 min.
• Controls: No-inhibitor control, no-enzyme control, and a known reference inhibitor for positive control.
• Data analysis: Calculate initial rates, normalize to no-inhibitor control, fit to a four-parameter logistic curve for IC50. Confirm mechanism with substrate-variation studies.

Notes:

• Validate absence of assay interference (inner-filter effects, fluorescence quenching). Consider orthogonal HPLC peptide-cleavage assays for confirmation.

Biological Roles

Biology context (general; not specific to this item’s structure):

• Dipeptidyl peptidase-4 (DPP-4, CD26) is a serine protease that removes N-terminal dipeptides from peptides with proline or alanine in the penultimate position. It modulates the activity of numerous signaling peptides by truncation.
• DPP-4 exists as a membrane-anchored ectoenzyme and in soluble form in plasma. It plays roles in immune regulation, metabolism of peptide hormones, and extracellular matrix interactions (literature/general).
• Small-molecule DPP-4 inhibitors are commonly used as research tools to dissect DPP-4-mediated peptide processing and to study enzyme kinetics, substrate specificity, and pathway crosstalk.

Relevance of inhibitors in research (general):

• Aid in mapping peptide processing networks by stabilizing intact peptide substrates and enabling detection/quantification via LC–MS.
• Facilitate target validation studies by correlating biochemical inhibition with phenotypic changes in cell or tissue models.
• Useful in benchmarking assay platforms (fluorogenic, FRET, and HPLC-based peptide cleavage assays) by providing a defined inhibitory response.

Note: The above describes biological functions of the DPP-4 target and generic uses of inhibitors. No therapeutic or clinical claims are made for this item.

Buffer Applications

This product is not a buffering agent. However, buffers are central to its typical use in enzymatic assays of DPP-4.

General buffer guidance for DPP-4 assays:

• Common buffers: 50 mM Tris-HCl, HEPES, or PBS, pH 7.4–8.0, often with 100–150 mM NaCl.
• Additives: 0.01–0.1% Tween-20 can reduce nonspecific adsorption and aggregation; 0.1–1 mg/mL BSA may stabilize enzymes.
• Metal ions/reducing agents: Include only if validated; some proteases are sensitive to metal chelators or sulfhydryl reagents.
• Organic cosolvent: Keep DMSO ≤0.5–1% v/v to minimize effects on enzyme kinetics.

Preparation tips:

• Pre-equilibrate buffer and enzyme to assay temperature.
• Validate buffer composition by running controls across pH and ionic strength to confirm robust activity and inhibitor response.

Note: These are general, literature-level guidelines; optimize for your specific substrate/enzyme lot.

Green Alternatives

As a small-molecule inhibitor, DPP-4-IN-11 itself is not a process solvent. Greener considerations relate to how you dissolve and handle the compound in the lab.

Greener dissolution and handling (general guidance):

• Prefer aqueous buffers with minimal organic cosolvent where solubility and stability permit.
• Use the lowest effective DMSO concentration (≤0.5–1% v/v in assays) and avoid high-toxicity solvents (DMF/NMP) unless necessary.
• Employ solid-phase storage in micro-aliquots to reduce solvent waste and repeated freeze–thaw.

Comparison of dissolution strategies (general):

| Approach | Advantages | Trade-offs | | --- | --- | --- | | DMSO stock + aqueous dilution | High solvency; broadly compatible | Hygroscopic; potential enzyme effects above ~1% v/v | | Aqueous buffer with cyclodextrin | Reduces organic solvent use | Potential host–guest effects on kinetics; added components | | PEG-400 cosolvent (low %) | Lower volatility; good solvency | Viscosity can affect liquid handling and mixing | | Ethanol (low %) | Readily available; greener than amide solvents | Lower solvency; volatility and flammability |

Waste minimization:

• Scale assays to microvolumes in 384/1536-well plates when feasible.
• Consolidate solvent waste streams and follow institutional green chemistry disposal practices.

Pharmaceutical Uses

This material is supplied strictly for research use only. No medical, clinical, or diagnostic applications are implied.

Non-clinical, laboratory-related contexts (general):

• Reference standard: May be used as an in-house reference in developing and validating analytical methods (e.g., LC–MS) for DPP-4 inhibitor quantification in research matrices.
• Process development studies: Tool compound for understanding adsorption, stability, and extraction behavior in pre-formulation research workflows under controlled laboratory conditions.
• Permeability/metabolism screening: Employed in in vitro assays (e.g., microsomal stability, plasma protein binding) to benchmark assay performance when structural information and purity are available.

Regulatory note:

• No pharmacopeial monograph or excipient status is indicated for this item. Any use in cGMP or regulated contexts requires independent qualification and full traceability of specifications via CoA and SDS.

Physical Properties

Item-specific physicochemical data are not provided in the Product Data.

• 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.
• Melting point, boiling point, density, refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.

General guidance for small-molecule enzyme inhibitors (literature/general):

• Many DPP-4 inhibitors are crystalline solids with moderate lipophilicity (cLogP often ~1.5–4) and limited aqueous solubility; DMSO is a common solvent for stock solutions.
• Typical assay stocks: 10–50 mM in anhydrous DMSO, then diluted into aqueous assay buffers to ≤1% v/v DMSO to minimize enzyme or cell perturbation.
• Ionizable amines, if present, can increase solubility in acidic aqueous media (e.g., 0.1 N HCl) for temporary dissolution prior to buffer adjustment (use only if compatible with your assay).

Notes:

• Do not treat the above as specifications. Verify actual physical constants and solubility experimentally for this lot or consult the item’s CoA.

Quality and Grades

Item-specific quality grade and purity are not provided in the Product Data.

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

General guidance for small-molecule screening compounds:

• Typical supply formats include analytical purity ≥95% by HPLC/LC–MS (literature/common practice). Verify actual purity, counterions, and residual solvents on the CoA for this specific lot.
• Identity confirmation: Common techniques include 1H/13C NMR, HRMS, and LC–MS purity traces. Some vendors report water Karl Fischer and residual solvent; if critical to your application, request the detailed Spec Sheet.
• Stabilizers: Not typically added for discrete inhibitors; if present, they will be listed on the CoA. Absence/presence of stabilizers can influence long-term storage behavior.
• UV profile: If using for HPLC method development or kinetic assays by UV detection, request the UV absorbance spectrum and extinction coefficients where available.

Practical recommendations:

• Request or check the CoA for purity basis (area% vs weight%), salt form, counterion stoichiometry, and hydration/solvate level.
• If conducting quantitative biology or analytical benchmarking, consider independent verification (orthogonal HPLC method and NMR) before critical experiments.

Reaction and Applications

Context: DPP-4-IN-11 is supplied as a research tool compound. No specific chemical reaction applications are claimed in the Product Data. The primary use-case is biochemical/biophysical interrogation of DPP-4 activity.

Research applications (general for DPP-4 inhibitors):

• Enzymology: Determine inhibition modality (competitive, noncompetitive, or mixed) by Michaelis–Menten kinetics with chromogenic/fluorogenic DPP-4 substrates (e.g., Gly-Pro-AMC) and variable inhibitor concentrations.
• Potency ranking: Generate IC50 curves over multiple substrate concentrations to derive Ki via Cheng–Prusoff or full kinetic fitting.
• Selectivity profiling: Cross-screen against related dipeptidyl peptidases (e.g., DPP-8/9, FAP) to identify off-target liabilities.
• Structural biology: Use as a ligand in co-crystallization or cryo-EM studies of DPP-4 to map binding interactions (requires verified purity and identity).
• Analytical controls: Serve as a positive control in assay validation and HTS method development.

Practical notes:

• Prepare concentrated DMSO stocks (10–50 mM), store at −20°C, and minimize freeze–thaw cycles by aliquoting.
• Verify absence of colloidal aggregation (e.g., with detergent supplementation and DLS) to avoid artifactual inhibition.
• Include solvent-only controls and, where relevant, counterscreens using alternate readouts (e.g., orthogonal fluorogenic vs. HPLC peptide cleavage assays).

All uses are for research only; no clinical or diagnostic applications are implied.

Reaction Conditions

Chemical reaction conditions are not applicable to this product because it is intended as a final research inhibitor rather than a reagent.

General assay-condition guidance for inhibitor evaluation (literature-level; not item-specific):

• Enzyme assays: 25–37°C, buffered at pH 7.4–8.0; enzyme and substrate concentrations chosen to maintain initial-rate conditions (typically substrate near Km).
• Inhibitor handling: Prepare 10–50 mM DMSO stocks; serially dilute in buffer to achieve a broad concentration range (e.g., 0.1 nM–100 μM) with constant DMSO across wells.
• Incubation: Pre-incubate inhibitor with enzyme for 5–30 min when time-dependent effects are suspected; initiate with substrate and monitor continuously (fluorogenic) or by endpoint (HPLC).
• Data analysis: Fit to a four-parameter logistic model for IC50; determine Ki via appropriate models (Cheng–Prusoff for competitive inhibition or full kinetic fitting for other mechanisms).

Note: These are general biochemical conditions and should be optimized for your specific enzyme/substrate system.

Safety and Handling

Hazard/SDS information specific to this item is not provided in the Product Data and should be obtained from the product SDS.

Item-specific:

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

General laboratory guidance for small-molecule research inhibitors:

• PPE: Use lab coat, safety glasses, and appropriate chemically resistant gloves. Avoid inhalation of dust or aerosols; handle powders in a fume hood.
• Hygiene: Wash thoroughly after handling. Avoid contact with skin and eyes. Do not eat, drink, or smoke when using this product.
• Incompatibilities: Strong oxidizers and strong acids/bases may be incompatible depending on functional groups (consult SDS/CoA when available).
• First aid (overview; defer to SDS): In case of skin/eye contact, rinse with plenty of water for several minutes and seek medical attention if irritation persists. If inhaled, move to fresh air. If ingested, rinse mouth; do not induce vomiting unless directed by medical personnel.
• Environmental precautions: Prevent release to the environment. Dispose of contents/container in accordance with institutional and local regulations.

Shipping/storage risk management:

• Shipped on ice packs; store at −20°C as provided to preserve integrity and minimize degradation.

Solvent Selection

Item-specific solubility is not provided; the following are general strategies for small-molecule DPP-4 inhibitors used in biochemical assays.

• Primary stock solvent: DMSO is the standard first choice for hydrophobic inhibitors due to broad solvency and compatibility with biological assays at ≤0.5–1% v/v.
• Secondary options (if DMSO is insufficient or undesirable):
  • NMP or DMF (enhanced solubilization; assess cytotoxicity in cellular contexts).
  • Ethanol (often acceptable up to ~0.1–0.5% v/v in biochemical assays; check enzyme tolerance).
  • pH-assisted aqueous dissolution for ionizable compounds (prepare a concentrated acidic or basic solution, then titrate into buffer; verify stability).
• Cosolubilization/vehicles:
  • PEG-400 (low volatility; can improve solubility but may affect viscosity and assay kinetics).
  • Cyclodextrins (e.g., 2-hydroxypropyl-β-CD) to host hydrophobic guests.

Selection considerations (general):

• Maintain final organic cosolvent ≤1% v/v for enzymology unless validated otherwise.
• Filter sterilize through 0.22 μm for cell-based work after dilution if compatible.
• Consider light/oxygen sensitivity; prepare fresh aliquots as needed.

Quick comparison (general):

• DMSO: Excellent solvency; broadly assay-compatible; hygroscopic.
• Ethanol: Moderate solvency; more volatile; generally acceptable at low %.
• DMF/NMP: Strong solvency; higher toxicity; use sparingly in biology.

Storage and Reconstitution

Item-specific conditions from Product Data:

• Storage: Store at −20°C.
• Shipping: Ice chest with ice pads.

General handling recommendations for small-molecule inhibitors:

• Upon receipt: Allow the sealed container to equilibrate to room temperature in a desiccator before opening to prevent moisture condensation.
• Solid storage: Keep tightly closed in a dry, inert atmosphere (desiccant recommended). Protect from light if the compound is chromophoric or reported light-sensitive.
• Aliquoting: If frequent use is anticipated, divide into single-use portions to minimize freeze–thaw and headspace exposure.

Reconstitution (general):

• Preferred solvent: Anhydrous DMSO. Prepare a concentrated stock (e.g., 10–50 mM) based on actual solubility; filter if particulates remain and filtration is compatible.
• Working solutions: Dilute stocks into assay buffer to the desired concentration while maintaining constant final DMSO (≤0.5–1% v/v typical for enzymology).
• Stability: Use freshly prepared working solutions. Discard if precipitation, discoloration, or performance drift is observed.

Documentation:

• Record preparation date, solvent, concentration, and storage conditions. Consult the CoA/SDS for any additional, item-specific storage constraints.

Structure and Identity

Brief overview: DPP-4-IN-11 is a small-molecule research inhibitor intended for biochemical studies of dipeptidyl peptidase-4 (DPP-4/CD26). Item-specific structural identifiers are not provided in the Product Data.

• SKU: D1438707
• Product name: DPP-4-IN-11
• CAS: D1438707 (catalog identifier; not a registry-validated CAS)
• 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-level for DPP-4 inhibitors; not specific to this item):

• Many DPP-4 inhibitors contain heteroaromatic scaffolds and amide/urea motifs that engage the catalytic pocket (literature).
• Basic centers (e.g., secondary/tertiary amines) are common for forming salt bridges with the S1/S2 subsites (literature).

2D description (general):

• Typical structures feature a heteroaromatic core linked to hydrogen-bond donors/acceptors positioned to interact with the catalytic Ser630 region of DPP-4 (literature). Exact 2D connectivity for DPP-4-IN-11 is not provided in this listing.

Synthetic Utility

DPP-4-IN-11 is a tool compound and is not typically used as a synthetic reagent or building block.

General considerations:

• Without disclosed structure, functional-group-based synthetic transformations cannot be recommended for this item.
• If structural data are obtained from the CoA or literature, retrosynthetic analysis may reveal common motifs (e.g., amide/urea linkages, heteroaromatics) that are typically constructed via coupling reactions (e.g., HATU/EDC-mediated amidation, carbamoylation, or SNAr), but such discussion would be speculative without item-specific information.

Practical recommendation:

• Treat this compound as a final research ligand. For derivative synthesis or SAR expansion, obtain the exact structure and then plan route scouting with standard medchem tactics (heteroaryl coupling, selective N-acylation, protection/deprotection as needed).

Target Specificity

Item-specific target data are not provided in the Product Data.

• Declared target: Dipeptidyl peptidase-4 (DPP-4/CD26) is implied by the compound name; however, selectivity and potency parameters (IC50/Ki, off-targets) are not specified for this item and should be confirmed experimentally or via the CoA/technical note if available.

General considerations:

• Cross-screen against related proteases (DPP-8, DPP-9, FAP) and unrelated serine proteases to establish specificity.
• Use orthogonal assay formats to exclude readout interference or aggregation-based artifacts.

よくある質問

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is D1438707, the molecular formula is C20H20N4O3S2, and the molecular weight is 428.53 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.