TMP920 - 10mM in DMSO , CAS No.1421837-45-7

CAS: 1421837-45-7 Cat. No.: T655202 분자식: C₂₉H₃₀N₂O₃ 분자량: 454.56

등급 & 순도 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

TMP920 is a highly potent and selective RORγt antagonist. TMP920 inhibits RORγt binding to the SRC1 peptide with an IC 50 of 0.03 μM

In Vitro

TMP920 (0.09-30 μM) starts to show toxic effects on cell growth at >10 μM in Naïve CD4 + T cells. TMP920 suppresses Th17 cell differentiation and lost its IL-17 inhibitory effect at <2.5 μM in vitro. TMP920 suppresses IL-17 production from differentiated Th17 cells in vitro. TMP920 suppresses the Th17 cell transcriptome and promotes alternate T-cell subsets. TMP920 significantly reduces RORγt-DNA interactions. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Cytotoxicity AssayCell Line: Naïve CD4 + T cells Concentration: 0.09-30 μM Incubation Time: 48 hours Result: Has toxic effects on cell growth at >10 μM.

IC50& Target:IC50: 0.03 μM (RORγt)

사양

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

TMP920 is a highly potent and selective RORγt antagonist. TMP920 inhibits RORγt binding to the SRC1 peptide with an IC 50 of 0.03 μM.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

분자량

454.56

Application Protocols

No tested applications are specified for TMP920. The following generic procedures are provided as practical guidance for handling small‑molecule screening compounds; adjust to your system and consult SDS/CoA.

Example: Preparing a DMSO stock and dose–response plate

• Allow vial to equilibrate to room temperature in a desiccator to avoid condensation. Spin down briefly.
• Prepare a 10 mM stock in anhydrous DMSO (e.g., 1.0 mg in 0.1 mL gives 10 mg/mL; calculate molarity after confirming MW from CoA).
• Vortex and, if needed, sonicate briefly. If undissolved, warm gently to 30–40°C and re‑vortex.
• Aliquot into low‑bind polypropylene tubes or 384‑well source plates. Store sealed, inerted (e.g., N2/Ar headspace) at −80°C.
• Create a 10‑point 1:3 serial dilution in DMSO for a typical range spanning 0.5 nM to 30 µM after dilution into assay buffer (adjust to expected potency once known).
• Transfer to assay plate to reach a final DMSO of 0.1–0.5% v/v for cells (≤2% for many biochemical assays). Mix thoroughly and visually inspect for precipitation.
• Record plate maps, solvent lots, and dilution calculations. Verify plate concentrations by back‑calculation or LC‑MS where critical.

Quality check:

• Run vehicle controls, positive controls if available, and orthogonal readouts to confirm activity and exclude interference.

Biological Roles

No target class, mode of action, or biological role is specified for TMP920 in this listing. As supplied, it is for research use only and is typically utilized as a small‑molecule tool or screening hit/lead candidate within discovery programs.

General considerations for small‑molecule research compounds (literature/practice, not item‑specific):

• Potential roles: May act as enzyme inhibitor, receptor ligand/modulator, ion channel agent, or pathway probe depending on structure—none of which can be asserted here without provided data.
• Selectivity profiling: Utilize orthogonal assay formats and counterscreens to identify off‑target activities. Early adoption of safety‑panel profiling (e.g., hERG binding, CYP inhibition) can preempt confounders in phenotypic assays.
• ADME properties: Measure basic parameters (solubility, permeability, microsomal stability, protein binding) to contextualize observed potency in cells.
• Aggregation/artifacts: Evaluate concentration‑dependent aggregation using detergent controls or DLS to avoid false positives in biochemical screens.
• Chemical stability: Check for hydrolysis, oxidative degradation, or photolability under assay conditions. Implement light shielding and antioxidant additives only if supported by stability data.

Documentation: Record the exact batch, solvent vehicle, final DMSO percentage, and plate format for each biological study to ensure reproducibility and reliable SAR interpretation.

Buffer Applications

TMP920 is not a buffering reagent and is not typically used to prepare buffer systems. Therefore, standard buffer recipes or pH ranges are not applicable.

Practical compatibility notes for assay buffers (general guidance):

• When dosing from DMSO stocks, keep final DMSO typically ≤0.1–0.5% v/v for live‑cell assays and ≤2% for many biochemical assays (verify your system’s tolerance).
• Pre‑wet plasticware with buffer containing 0.01% non‑ionic surfactant or 0.1% BSA if adsorption is suspected for hydrophobic compounds.
• Avoid phosphate buffers in metal‑dependent enzyme assays where phosphate may chelate or inhibit; consider HEPES, Tris, or MOPS instead as appropriate.
• Filter buffers (0.22 µm) and degas when using low‑volume microplates to improve precision and reduce bubble‑related artifacts.

Green Alternatives

TMP920 is a research screening compound; the main environmental leverage points are solvent choices and process miniaturization rather than substitution of the active itself.

Greener solvent strategies (general guidance):

• Prefer DMSO for stock solutions over DMF/NMP when biologically acceptable; DMSO has a more favorable safety/greenness profile and is widely tolerated at ≤0.5% v/v in many assays.
• For preparative handling (recrystallization/washing) if needed, consider ethyl acetate, 2‑MeTHF, CPME, or IPA instead of chlorinated solvents, balancing solubility and stability.
• If ACN is used for analytics, evaluate MeOH/water gradients or ethanol where method performance allows.

Illustrative comparison (literature/general, not item‑specific):

• DMSO: High boiling point, low volatility, good safety record in labs; biodegradable concerns minimal; potential skin permeation risk—use gloves.
• 2‑MeTHF vs THF: 2‑MeTHF is biorenewable and forms fewer peroxides; suitable for some extractions and crystallizations.
• CPME vs Et2O/MTBE: CPME is less prone to peroxide formation and has better stability; good for workups when compatible.

Process considerations:

• Miniaturize assays (e.g., 384/1536‑well formats) to cut solvent use and waste.
• Employ sealed plates to reduce evaporative losses of organic co‑solvents.
• Consolidate waste streams and use in‑house solvent recycling where available.

Note: No item‑specific green certifications or solvent mandates are provided for TMP920.

Pharmaceutical Uses

No pharmaceutical or excipient uses are specified for TMP920, and it is supplied strictly for research use only. It is not intended for human or veterinary use, clinical diagnostics, or as a drug substance/excipient.

Discovery/development context (general, not item‑specific):

• Reference standard: May be employed as a chemical reference in preclinical assays to benchmark assay performance or to explore structure–activity relationships once identity is established.
• Formulation screening (in vitro only): Solubilization strategies (co‑solvents, cyclodextrins, lipid carriers) may be explored to enable in vitro exposure studies. Any such work should be accompanied by appropriate vehicle controls.
• Stability studies: Forced degradation under heat, light, acid/base, and oxidative conditions can define stability‑indicating methods for QC tracking in research settings.

Regulatory note: There is no Pharmacopeial monograph or regulatory status provided for this item. All handling and documentation should adhere to your institution’s non‑GxP or GxP policies as applicable to exploratory research.

Physical Properties

Item-specific physicochemical constants are not provided for TMP920 in this listing. Where exact numbers are required for method development or formulation, consult the batch CoA/SDS.

• 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 specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP/logD: Not specified for this item; refer to CoA/Spec Sheet.
• pKa(s): Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not applicable/unknown for solids; Not specified for this item; refer to CoA/Spec Sheet.

General guidance (literature/practice, not item‑specific):

• For unknown chemotypes, initial stock preparation in dry, anhydrous DMSO (e.g., 10–50 mM) is commonly successful. If precipitation is observed upon aqueous dilution, introduce co‑solvent (0.1–1% DMSO final), or add surfactant (e.g., 0.01% Pluronic F‑68) where biologically acceptable.
• If TMP920 is hygroscopic or poorly wetting (unknown here), brief warming (25–40°C) and vortex/sonication can assist dissolution; avoid prolonged heating.
• Light and oxygen sensitivity cannot be inferred from the listing. As a precaution, prepare and store solutions under inert gas in amber vials when performing longer studies, and confirm stability by LC‑UV/MS at intended storage temperatures (e.g., autosampler at 4–8°C).

Quality and Grades

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

Context for screening compounds (general, not item‑specific):

• Library/screening grade typically emphasizes high identity confidence and sufficient purity for biochemical/cellular assays. CoA commonly includes:
  • Identity by LC‑MS (exact mass), sometimes 1H NMR.
  • Purity by HPLC/UPLC (often ≥95% area by UV at multiple wavelengths). This threshold is common but is not specified for this item.
  • Residual solvents and water content by GC/KF when applicable.
• UV profile/low‑UV grades: If used for HPLC‑based readouts, compounds with minimal background absorbance are preferred. No UV cutoff is provided for this item.
• Stabilizers: None specified. If a stabilizer is present, it will be declared on the CoA/SDS; stabilizers may influence bioassay data background and should be accounted for in controls.
• Batch traceability: Use the lot number on the vial to retrieve the exact specifications and analytical data. For structure–activity relationship (SAR) work, ensure that all biological data are mapped to the same batch or that inter‑batch comparability has been established.

Reaction and Applications

This product is supplied as a small‑molecule research compound for discovery workflows rather than as a synthetic reagent. No manufacturer application text is provided for TMP920. Accordingly, the emphasis is on its use in assay development and screening rather than chemical transformations.

Typical research uses (general for screening compounds):

• Biochemical target testing: Generate concentration–response curves to estimate apparent potency (e.g., IC50/EC50) in enzyme or receptor assays. Include matched vehicle controls to quantify solvent effects.
• Cell‑based phenotypic assays: Assess pathway modulation or phenotypic outcomes with orthogonal readouts to differentiate on‑target activity from assay artifacts.
• Mechanistic follow‑up: Time‑course studies, washout experiments, or counterscreens to evaluate reversibility and selectivity.
• Physicochemical characterization: Determine kinetic solubility, thermodynamic solubility, and microsomal stability to inform handling and exposure.
• Analytical method development: Establish LC‑UV/MS methods for purity tracking, stability indicating assays, and carryover mitigation in HTS systems.

Practical tips:

• Prepare fresh DMSO stock aliquots and avoid repeated freeze–thaw. Verify absence of precipitation after dilution into assay buffers at intended concentrations.
• Use serial dilution from a high‑quality parent plate (low‑bind polypropylene) to reduce variability.
• Confirm identity and purity by LC‑MS prior to critical studies, especially after long storage or shipping events.

Reaction Conditions

Not applicable. TMP920 is not offered as a reagent for chemical synthesis in this listing, and no reaction conditions can be defined without disclosed structure or functional groups.

For laboratories intending to modify TMP920 after confirming its structure independently (outside the scope of this listing):

• Establish stability windows by TLC/LC‑MS across pH 2–10 and common solvents before attempting any transformation.
• Run micro‑scale scouting reactions under inert atmosphere with rigorous anhydrous technique if moisture‑sensitive functionalities are suspected.
• Apply DoE to evaluate solvent/base/catalyst selections systematically, using short UPLC methods to accelerate iteration.

These are general best practices and not item‑specific recommendations.

Safety and Handling

Safety details specific to TMP920 are not provided in this listing; consult the SDS for authoritative hazard classification and response measures.

• GHS classification: Not specified for this item; refer to SDS.
• Signal word, pictograms, H‑statements: Not specified for this item; refer to SDS.
• Storage: Store at −80°C (per product data). Minimize freeze–thaw events; keep tightly sealed. Shipments are supplied on dry ice + cold packs.
• General PPE: Laboratory coat, safety glasses, and appropriate gloves (e.g., nitrile). Handle powders/aliquots in a chemical fume hood to avoid inhalation of dust/aerosols.
• Incompatibilities/precautions (general for organic research compounds): Avoid strong oxidizers, strong acids/bases until compatibility is known. Prevent moisture ingress and photodegradation by using desiccants and amber containers where feasible.
• First aid (general guidance; defer to SDS):
  • Inhalation: Move to fresh air; obtain medical attention if symptoms persist.
  • Skin/eye contact: Rinse with plenty of water for ≥15 minutes; remove contaminated clothing; seek medical advice as needed.
  • Ingestion: Rinse mouth; do not induce vomiting unless directed by medical personnel; seek medical attention.
• Waste: Collect solutions and contaminated disposables as organic chemical waste; do not discharge to drain. Follow institutional and local regulations.
• Special risks: None can be asserted from the provided data. If the compound is an aromatic heterocycle or contains oxidizable motifs (unknown here), consider light/air sensitivity and possible cytotoxicity during cell work; verify with small‑scale pilot assays.

Solvent Selection

Because no item‑specific solubility data are provided, select solvents empirically using a tiered approach suited for discovery compounds.

• Primary solvent for stocks:
  • DMSO (anhydrous) is the first‑line choice for 10–50 mM stocks due to broad solvency and assay compatibility at low final percentages (0.1–0.5%).
• Secondary solvents if DMSO is inadequate or restricted:
  • DMF, NMP (powerful but consider cytotoxicity and extractables; limit final assay %).
  • Acetonitrile or ethanol (miscible with water; faster evaporation for plate‑coating applications).
  • Isopropanol as a milder alcohol alternative.
• Aqueous delivery:
  • Prepare concentrated organic stocks, then dilute into buffer with vigorous mixing to avoid local supersaturation. Maintain final co‑solvent typically ≤0.5% for cells and ≤2% for many biochemical assays (verify tolerance).
• Surfactants and carriers:
  • For sticky/hydrophobic chemotypes, 0.01–0.05% non‑ionic surfactant (e.g., Pluronic F‑68, Tween‑20) or 0.1% BSA can mitigate adsorption; confirm they do not interfere with the readout.
• Comparative notes (general):
  • DMSO vs DMF: DMSO is generally better tolerated biologically; DMF can improve solubility for some polar aromatics.
  • ACN vs EtOH: ACN is less protic and often better for plate drying; EtOH is more biocompatible in live‑cell contexts.
• Record the exact solvent lot, water content, and final co‑solvent percentage for reproducibility.

Storage and Reconstitution

• Storage conditions (item‑specific): Store at −80°C. Shipped on dry ice packs + cold packs.
• Container: Keep tightly capped in moisture‑proof, chemically compatible vials. Consider amber glass or amber polypropylene to limit light exposure.
• Aliquoting: Upon first thaw, immediately subdivide into single‑use aliquots to minimize freeze–thaw cycles. Flush headspace with inert gas before re‑freezing to reduce oxidative degradation risk.
• Desiccation: Maintain under dry conditions; use desiccant packs in secondary containment. Avoid condensation by equilibrating closed vials to room temperature before opening.
• Reconstitution (general):
  • For in vitro use, dissolve in anhydrous DMSO to prepare concentrated stocks (e.g., 10–50 mM), then dilute into assay buffers with vigorous mixing. Verify clarity and absence of precipitate.
  • If aqueous solubility is essential, assess pH‑adjustment, co‑solvents, or complexation agents (e.g., hydroxypropyl‑β‑cyclodextrin) as appropriate for your model system.
• Stability monitoring: Check for changes in appearance and assay performance over time. Confirm chemical integrity by LC‑MS/UPLC after long‑term storage or repeated handling.
• Expiry: Follow any retest/expiry date on the label/CoA. In absence of item‑specific stability data, adopt conservative storage and use freshly thawed aliquots for critical experiments.
• Research use note: For research use only; not for human or veterinary applications.

Structure and Identity

• Product code-name: TMP920 (SKU: T655202). Classified as a small‑molecule screening compound in our Small Molecules & Compound Libraries category.
• CAS: 1421837-45-7
• 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.
• Structural features: The specific ring systems, functional groups, and stereochemistry are not disclosed in the provided product data. For precise structural depiction (2D/3D), consult the CoA/Spec Sheet or primary literature associated with this CAS.
• 2D description (general): As a library compound, TMP920 is a discrete organic molecule intended for use as a reference/lead in biochemical or cell‑based assays. Without an available structure, no definitive functional group analysis can be provided here.
• Synonyms and identifiers: None provided in the product data; cross‑reference internal ELN/LIMS records or literature databases by CAS for full structure and naming when required.
• Note: Always align assay annotations (target class, chemotype) with the exact batch/structure confirmed on the accompanying CoA to avoid data integrity issues in screening campaigns.

Synthetic Utility

TMP920 is provided as a finished small‑molecule research compound and is not positioned as a synthetic building block. Without structural information in this listing, specific functional group transformations or named reactions cannot be recommended.

General guidance (if derivatization is contemplated in your lab after structure confirmation from CoA/literature):

• Purification: Establish a robust LC or flash chromatography method using orthogonal eluents (e.g., EtOAc/hexanes vs MeOH/DCM) and confirm purity by LC‑MS and NMR.
• Late‑stage modification: Once functional groups are known, consider standard handles (anilines, phenols, nitriles, heteroaryl halides) for diversification via amide coupling, SNAr, cross‑coupling (Suzuki, Buchwald–Hartwig), or O‑alkylation, subject to compatibility.
• Analytical support: Use UPLC with PDA and HRMS to monitor reaction progress and detect minor degradants, especially if multiple heteroatoms or sensitive motifs are present.

If you require a building‑block grade compound for synthesis, consult our reagent catalog for functionally defined aryl halides, amines, acids, aldehydes, or boronates with fully specified specifications.

Target Specificity

No target, pathway, or selectivity information is provided for TMP920 in the product data. Do not infer biological specificity without consulting the CoA/Spec Sheet or primary literature linked to the CAS number.

Recommendations:

• If used as a putative tool compound, confirm activity and selectivity in your own assays and consider orthogonal formats to rule out artifacts.
• Document assay conditions, counter‑targets, and species to prevent misannotation of results in electronic lab notebooks and databases.

자주 묻는 질문

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

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 1421837-45-7, the molecular formula is C29H30N2O3, and the molecular weight is 454.56 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.