TMP780 - 10mM in DMSO , CAS No.1422053-03-9

CAS: 1422053-03-9 Cat. No.: T654658 Fórmula: C₃₁H₃₀N₂O₄ Peso molecular: 494.58

CALIDAD & PUREZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

TMP780 is an inverse agonist of RORγt with an IC 50 of 13 nM. RORγt is a tractable agent target for the treatment of cutaneous inflammatory disorders

IC50& Target:IC50: 13 nM (RORγt)

Especificaciones

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

TMP780 is an inverse agonist of RORγt with an IC 50 of 13 nM. RORγt is a tractable agent target for the treatment of cutaneous inflammatory disorders.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

Peso molecular

494.58

Application Protocols

There are no manufacturer-validated application protocols provided for TMP780 (e.g., WB, IHC, IF, enzyme assays). The following general steps are offered as non-item-specific guidance for small-molecule handling:

• DMSO stock preparation: Prepare at 10–50 mM, aliquot into low-bind tubes or 96-/384-well plates, and store at −80°C. Record exact concentration by weight/volume and confirm by UV/UPLC if the extinction coefficient is known.
• Plate handling: Work on ice or cooled blocks to minimize DMSO evaporation. Seal plates with solvent-resistant films. Use multichannel or acoustic dispensing for precision at low volumes.
• Dose–response: Prepare 10-point 3-fold serial dilutions to capture a broad potency window; maintain constant DMSO across wells.
• Quality control: Include vehicle-only controls and, if available, a mechanistically unrelated positive control to validate assay performance.

For any specific application, develop and validate a fit-for-purpose SOP based on your platform, and consult the CoA/Spec Sheet for any solubility or stability constraints.

Biological Roles

Item-specific biological targets or mechanisms for TMP780 are not provided. Accordingly, no claims are made regarding pathways, receptors, enzymes, or transporters.

General guidance for small-molecule research probes (non-item-specific)

• Potential roles: Screening compounds may interact with protein families such as kinases, GPCRs, nuclear receptors, epigenetic enzymes, or ion channels; definitive assignment requires curated assay data and orthogonal validation.
• Orthogonal confirmation: Combine biochemical potency measurements with biophysical methods (e.g., DSF/thermal shift, SPR, MST, ITC) and cellular target engagement (e.g., CETSA) to substantiate binding.
• Off-target assessment: Consider panel profiling (broad kinome or safety pharmacology panels) early to understand selectivity liabilities.
• ADME flags: Without structure, in silico flags cannot be computed. If structure becomes available, calculate cLogP, TPSA, and basicity to anticipate permeability/solubility trade-offs.

Note: This product is for research use only and is not intended for diagnostic or therapeutic use. For any biological claims, rely exclusively on your experimental data and the product’s CoA/Spec Sheet.

Buffer Applications

TMP780 is not a buffering agent and no pKa or acid/base behavior is provided for this item. As such, it does not serve as a component of classical buffer systems.

Practical notes for assay buffers (general)

• When dosing small molecules from DMSO stocks into aqueous assay buffers (e.g., PBS, HEPES, Tris), keep the final DMSO fraction ≤0.1–1% v/v depending on assay tolerance.
• To mitigate precipitation, add compound last to a vortexed buffer and consider 0.01–0.05% non-ionic surfactant (e.g., polysorbate 20) if compatible with the readout.
• Validate buffer compatibility by visual inspection and by UPLC to ensure single-phase solutions across the assay time course.

If ionization state information becomes available (pKa), buffers can be chosen to maintain the desired protonation state; in the absence of such data, perform a small pH screen to check solubility and stability.

Green Alternatives

Green chemistry considerations are generally framed for reagents and solvents. TMP780 is a discrete library compound rather than a process reagent; thus, greener substitution is not typically applicable.

Practical sustainability measures for handling discovery compounds

• Minimize solvent volumes by preparing high-concentration DMSO stocks and using low dead-volume plates.
• Choose greener analytical solvents when feasible (e.g., water–ethanol or water–acetonitrile gradients over chlorinated eluents) without compromising data quality.
• Implement micro-scale screening to reduce material use and waste.
• Use closed, inerted microplates to reduce evaporative losses and VOC exposure.

If TMP780 is evaluated in synthetic method development or as a probe in scale-dependent studies, consider:

• Selecting greener cosolvents (e.g., ethanol, isopropanol, 2-MeTHF) when compatible with solubility and assay performance.
• Applying DoE to minimize repeat runs and overall resource consumption.

There are no item-specific green alternatives to “replace” TMP780 because it is not a functional solvent or reagent with drop-in substitutes. Prioritize procedural efficiency and solvent choice to meet green chemistry objectives.

Pharmaceutical Uses

No excipient role, compendial status, or formulation function is specified for TMP780. This product is supplied strictly for research use and not for human or veterinary applications.

General considerations for formulation research with discovery compounds (non-item-specific)

• Early solubility enablement: Explore enabling vehicles (DMSO, PEG400, Captisol, ethanol/PEG/water mixtures) at micro-scale to support in vitro testing; confirm absence of vehicle interferences in your assay.
• Solid form: If solid form affects performance, characterize salt formation propensity and polymorphism via DSC/XRPD once the structure is available.
• Stability: Conduct forced-degradation studies (acid/base, oxidative, thermal, photolytic) to map degradation pathways and to inform storage and handling.

No claims are made about clinical use, safety, or efficacy. Refer to internal R&D protocols and the item’s CoA/Spec Sheet for any lot-specific details relevant to preformulation or analytical development.

Physical Properties

Item-specific properties

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular weight: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): 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, pKa, refractive index: Not specified for this item; refer to CoA/Spec Sheet.

Practical guidance (general, literature-style for small molecules; not item specifications)

• Stock solutions: For discovery compounds of unknown solubility, a common practice is to attempt dissolution at 10–50 mM in anhydrous DMSO, then dilute into assay buffers with final DMSO ≤0.1–1% v/v as assay permits.
• Solubility screening: If solubility is uncertain, perform a small-scale cosolvent panel (DMSO, DMF, MeOH, ACN, PBS with 0.01–0.05% nonionic surfactant) and monitor by HPLC/UPLC or Nephelometry to identify a clear vehicle.
• Solid-state form: Without an indicated polymorph/salt form, assume a neutral free base/neutral molecule unless otherwise specified; confirm by titration or HRMS if exact form affects your application.
• Hygroscopicity/photosensitivity are not disclosed for this item; handle under low humidity and subdued light as a precaution until specifications are confirmed.

Quality and Grades

Item-specific grade/purity

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

What to expect in the documentation

• CoA typically includes lot-specific purity (e.g., HPLC/UPLC area %), identity confirmation (HRMS/NMR), and residual solvents. If UV suitability or specific impurity limits are critical, request the full analytical method used for purity determination.

Interpreting common grades (general guidance; not item-specific)

• Screening/Discovery grade: Suited for biochemical and cellular assays; often reported as HPLC area purity with orthogonal identity checks. Low non-volatile residue and well-defined mass spectra facilitate plate-based workflows.
• Chemical reagent grade: Focuses on assay performance in synthesis; may include water content and trace metal data when relevant.

Stabilizers/additives

• Stabilizers or counterions are not specified for this item. If you require additive-free material for sensitive biophysical assays or electrophysiology, confirm absence of stabilizers and the exact salt form via the Spec Sheet.

Analytical tips

• Request chromatographic conditions used for purity claims to reproduce retention behavior. If strong UV absorbance is uncertain, consider ELSD/CAD as orthogonal detection for QC.

Reaction and Applications

TMP780 is cataloged as a small-molecule research compound rather than a synthetic reagent. Accordingly, it is typically used in discovery workflows rather than as a stoichiometric substrate or solvent.

• Typical research applications (general; not item-specific claims):
  • Assay development and high-throughput/medium-throughput screening (HTS/MTD) as part of focused libraries.
  • Orthogonal target deconvolution workflows (e.g., chemoproteomics or thermal shift assays) once identity and purity are verified.
  • Structure–activity relationship (SAR) studies when analog series information is available.
• Not commonly used for: Named synthetic reactions (e.g., Grignard, cross-coupling) or as a catalyst/solvent.

Practical tips

• Prepare plate-ready DMSO stocks under dry conditions; filter through 0.2 µm PTFE if particulate is observed.
• Verify stability in the intended assay matrix by time-course UPLC (t0, 1 h, 4 h at room temperature and 37°C). Monitor for degradation peaks.
• If storage stability is a concern, aliquot single-use vials to minimize freeze–thaw cycles and moisture ingress.

Note: No manufacturer applications are provided for this item. Tailor deployment to your platform only after reviewing the CoA and, if necessary, conducting pilot feasibility tests.

Reaction Conditions

No item-specific reaction conditions apply because TMP780 is not positioned as a reagent or catalyst.

General analytical/handling conditions (non-item-specific) relevant to small molecules

• Stock preparation: Attempt 10–50 mM in anhydrous DMSO; warm gently (≤40°C) and vortex/sonicate to aid dissolution. Do not heat above 50°C unless stability is verified.
• Filtration: If particulates persist, filter through 0.2 µm PTFE. Avoid nylon if the molecule is strongly hydrophobic or amide-rich due to potential adsorption.
• Assay dosing: Add DMSO stocks last into vigorously mixed buffer to avoid local supersaturation; confirm clarity visually and by quick UPLC.
• Stability checks: Perform time-course UPLC at assay temperature to verify no significant degradation over the assay window.

If you intend to perform chemical reactions on TMP780 (e.g., analog synthesis), obtain the full structure and consult literature precedents for that scaffold before selecting solvents, bases, catalysts, or temperatures.

Safety and Handling

Regulatory and hazard status (item-specific)

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

General laboratory precautions (non-item-specific; follow your institutional EHS policies)

• Personal protective equipment: Lab coat, safety glasses, and appropriate chemically resistant gloves (e.g., nitrile). Use in a chemical fume hood to avoid inhalation of dust/aerosols.
• Avoid exposure: Do not ingest, inhale, or allow skin/eye contact. Wash thoroughly after handling. Prevent environmental release until hazards are known.
• First aid (general): If inhaled, move to fresh air; for skin/eye contact, rinse with water for 15 minutes; if ingested, seek medical attention. Provide the SDS to responders.
• Incompatibilities: Unknown for this specific item. As a prudent default for organic research compounds, keep away from strong oxidizers and strong acids/bases until compatibility is determined.
• Thermal/photostability: Not specified. Minimize heat/light exposure. Store as directed to preserve integrity.
• Waste disposal: Collect as organic chemical waste and dispose per local regulations. Decontaminate surfaces with suitable organic solvent followed by detergent/water, as appropriate.

Always consult the product-specific SDS for authoritative safety information prior to use.

Solvent Selection

Because the structural and polarity data for TMP780 are not disclosed, solvent selection should be empirical and guided by small-scale solubility tests.

• Primary dissolution vehicles (general practice):
  • DMSO (anhydrous) is the default for plate-ready stocks.
  • DMF or NMP for difficult-to-dissolve, polar/heteroatom-rich molecules.
  • MeOH/EtOH or ACN for moderately polar organics.
• Aqueous compatibility: Unknown for this item. If aqueous use is required, prepare a DMSO concentrate and titrate into buffer with surfactant (e.g., 0.01–0.05% polysorbate 20) to reduce precipitation; confirm by nephelometry or light scattering.
• pH effects: Without pKa data, assess solubility at pH 3, 7.4, and 9 using minimal organic cosolvent to determine ionization-dependent behavior.
• Adsorption concerns: Hydrophobic compounds can adsorb to polypropylene/polystyrene. If recovery is poor, consider low-bind consumables or glass vials and add 0.01% non-ionic surfactant in working solutions.
• Volatility: Not specified. Until confirmed, treat as nonvolatile for routine handling but cap containers promptly to avoid solvent loss.

For robust method development, pair empirical solubility mapping with analytical confirmation (UPLC at two wavelengths or ELSD/CAD) to ensure the chosen vehicle maintains a clear, single-phase solution over the assay window.

Storage and Reconstitution

Item-specific conditions

• Storage: Store at −80°C.
• Shipping: Shipped on dry ice packs + cold packs.

General best practices for small-molecule solids and DMSO stocks

• Upon receipt: Keep the container closed and cold. Allow to equilibrate to room temperature in a desiccator before opening to prevent moisture condensation.
• Aliquoting: If supplied as a solid, subdivide into single-use portions under dry, inert conditions when possible. If supplied in solution, aliquot into low-bind, solvent-resistant vials or plates.
• Stock preparation: If solubility allows, prepare 10–50 mM stocks in anhydrous DMSO. Mix thoroughly (vortex/brief sonication). Record final concentration and date.
• Storage of stocks: Freeze aliquots at −80°C. Avoid repeated freeze–thaw; thaw once, use immediately, and discard leftovers or refreeze only once if stability permits.
• Light/moisture: In the absence of stability data, protect from light and humidity. Use desiccant and amber vials as precautions.
• Stability verification: Periodically check by UPLC/LC–MS after storage to confirm purity and absence of degradation.

Always defer to the item’s CoA/Spec Sheet for any lot-specific reconstitution solvent recommendations, concentration limits, and confirmed stability windows.

Structure and Identity

Overview

• Product: TMP780 (SKU: T654658)
• CAS: 1422053-03-9
• Category: Small molecules and compound libraries (research use only)

Molecular identifiers (item-specific)

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

Structural features

• Structural class and functional groups: Not specified for this item; refer to CoA/Spec Sheet.
• Stereochemistry: Not specified for this item; refer to CoA/Spec Sheet.

Notes for users

• TMP780 is supplied as a research small-molecule screening compound. In the absence of disclosed structure, treat as an unknown organic solid or film-forming residue. Verify all identifiers and structural details against the item’s CoA before method development, LC–MS qualification, or regulatory submissions.
• If you plan to quantify TMP780 by LC/UPLC, request exact molecular formula/accurate mass from the CoA to configure MS channels and isotopic patterns. For NMR identity checks, solicit solvent recommendations and expected spectral features from the Spec Sheet if available.

Synthetic Utility

TMP780 is provided as a library screening small molecule, and its use as a reagent or building block in synthesis is not the intended application. Without structural information, specific transformations cannot be recommended.

General considerations if derivatization is contemplated (non-item-specific)

• Analytical first: Confirm exact structure, functional groups, and purity by NMR/HRMS before planning transformations.
• Handle as a late-stage scaffold: If functional handles exist (e.g., aryl halide, anilide, nitrile, heteroaryl), common diversification tactics include cross-coupling, nucleophilic substitutions, or reductive aminations. These are speculative until structure is known.
• Protection/deprotection: Absent pKa/functional group data, avoid conditions that are strongly acidic/basic or oxidative until stability is assessed.

Given the lack of item-specific structure, treat TMP780 as a target of analysis rather than a synthetic intermediate unless your program specifically aims to prepare analogs based on disclosed structural information.

Target Specificity

No target, enzyme, receptor, or pathway specificity is provided for TMP780 in the product data. Accordingly, no claims are made for selectivity, affinity, or potency against any biological target.

For users evaluating target engagement (general guidance)

• Combine orthogonal methods such as biochemical inhibition/activation assays, thermal shift (DSF/CETSA), and biophysical binding (SPR/MST/ITC) to substantiate on-target effects.
• Run counter-screens against close homologs or broad panels to characterize selectivity.
• Validate functional outcomes with appropriate positive/negative controls and, where relevant, genetic perturbation (siRNA/CRISPR) to triangulate target relevance.

Refer to your experimental data and the item’s CoA/Spec Sheet for any lot-specific insights; no manufacturer-verified target information is available.

Preguntas frecuentes

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 1422053-03-9, the molecular formula is C31H30N2O4, and the molecular weight is 494.58 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.