| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
IC50: 0.79 nM (TGFβR1)[1]
TGFβRI-IN-3 targets transforming growth factor-beta receptor 1 (TGFβR1, also known as ALK5), a serine/threonine kinase receptor that mediates TGF-β signaling. Upon TGF-β binding, TGFβR1 phosphorylates downstream SMAD proteins (SMAD2 and SMAD3), which translocate to the nucleus to regulate gene expression involved in cell proliferation, differentiation, and immune suppression. By inhibiting TGFβR1 with high potency (IC₅₀ = 0.79 nM) and exceptional selectivity (2000-fold vs. MAP4K4), TGFβRI-IN-3 blocks TGF-β signaling, making it a valuable tool for immuno-oncology research. |
|---|---|
| ln Vitro |
With an IC50 of 0.79 nM and a 2000-fold selectivity for MAP4K4, TGFβRI-IN-3 inhibits TGFβR1 [1].
In vitro, TGFβRI-IN-3 potently inhibits TGFβR1 with an IC₅₀ of 0.79 nM. The compound demonstrates 2000-fold selectivity against MAP4K4, indicating a high degree of target specificity. This selectivity is important for minimizing off-target effects in research applications. The compound's activity is typically assessed in cell-based assays measuring TGF-β-induced SMAD2/3 phosphorylation or using SMAD-responsive reporter gene constructs. Its high potency and selectivity make it a valuable tool for studying TGF-β signaling in immuno-oncology. |
| ln Vivo |
Specific in vivo activity data for TGFβRI-IN-3 are not extensively documented in the publicly available literature. As a highly selective TGFβR1 inhibitor, the compound has potential applications in immuno-oncology. It may be investigated in animal models of cancer to evaluate its effects on tumor growth, immune cell infiltration, and anti-tumor immunity. Further in vivo studies are needed to characterize its efficacy, pharmacokinetics, and safety profile. The compound is for research use only.
|
| Enzyme Assay |
In vitro enzyme/receptor binding assays for TGFβRI-IN-3 typically involve kinase activity assays using purified TGFβR1 (ALK5) protein. The compound's ability to inhibit TGFβR1 kinase activity is assessed using radiometric or fluorescence-based kinase assays with appropriate peptide substrates. IC₅₀ values are determined through dose-response experiments. Selectivity against MAP4K4 and other kinases is confirmed through parallel kinase panel screening. Assays are conducted in buffered solutions at physiological pH with appropriate ATP concentrations and cofactors.
|
| Cell Assay |
In vitro cell-based assays for TGFβRI-IN-3 utilize cell lines that respond to TGF-β signaling. Cells are treated with varying concentrations of the compound for 24-48 hours, followed by stimulation with TGF-β. TGF-β-induced SMAD2/3 phosphorylation is measured by Western blot or high-content imaging. SMAD-responsive reporter gene assays using (CAGA)12-luciferase or similar constructs are employed to assess transcriptional activity. The compound's effects on cell proliferation, migration, and immune cell function can also be evaluated. Standard cell culture conditions (37°C, 5% CO₂) with appropriate media are employed.
|
| Animal Protocol |
In vivo animal studies with TGFβRI-IN-3 would typically involve administration of the compound to rodent models of cancer or immune-related diseases. The compound is soluble in DMSO (50 mg/mL) and can be formulated for in vivo administration using 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline. Potential study designs include syngeneic tumor models or patient-derived xenograft (PDX) models to evaluate anti-tumor efficacy. Endpoints include tumor volume measurements, assessment of immune cell infiltration, evaluation of TGF-β signaling markers, and pharmacokinetic profiling. All procedures must comply with institutional animal care and use guidelines.
|
| ADME/Pharmacokinetics |
Specific pharmacokinetic data for TGFβRI-IN-3 are not extensively documented in the publicly available literature. The compound has a molecular weight of 465.57 g/mol and a molecular formula of C₂₈H₂₃N₃O₂S. It is soluble in DMSO (50 mg/mL) and can be formulated for in vivo administration. As a small molecule with favorable physicochemical properties, it may have suitable characteristics for oral bioavailability, though detailed PK parameters have not been published. The compound is typically stored as a powder at -20°C for up to 3 years or in solvent at -80°C for up to 1 year.
|
| Toxicity/Toxicokinetics |
TGFβRI-IN-3 is intended for research use only and is not approved for human therapeutic applications. As a research chemical, comprehensive toxicological data are not available in the publicly accessible literature. Standard safety precautions should be observed when handling this compound, including the use of appropriate personal protective equipment. As with all research chemicals, comprehensive toxicological profiling would be required before any consideration for clinical development. The compound should be handled in well-ventilated areas with proper waste disposal procedures.
|
| References | |
| Additional Infomation |
TGFβRI-IN-3 (CAS#: 2763602-67-9) has a molecular formula of C₂₈H₂₃N₃O₂S and a molecular weight of 465.57 g/mol. Its chemical name is 7-(4-(Methylsulfonyl)phenyl)-N-(2-(m-tolyl)pyridin-4-yl)quinolin-4-amine. It is a highly selective TGFβR1 inhibitor with an IC₅₀ of 0.79 nM and 2000-fold selectivity against MAP4K4. TGFβRI-IN-3 has potential applications in immuno-oncology. This compound is not a drug and has not undergone clinical trials.
|
| Molecular Formula |
C28H23N3O2S
|
|---|---|
| Molecular Weight |
465.57
|
| Exact Mass |
465.151
|
| CAS # |
2763602-67-9
|
| PubChem CID |
162640856
|
| Appearance |
Light brown to gray solid powder
|
| LogP |
5.6
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
34
|
| Complexity |
760
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1C=C(C=CC=1)C1N=CC=C(NC2=CC=NC3C2=CC=C(C2C=CC(S(=O)(C)=O)=CC=2)C=3)C=1
|
| InChi Key |
VYDDFPZEAIUBBH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C28H23N3O2S/c1-19-4-3-5-22(16-19)27-18-23(12-14-29-27)31-26-13-15-30-28-17-21(8-11-25(26)28)20-6-9-24(10-7-20)34(2,32)33/h3-18H,1-2H3,(H,29,30,31)
|
| Chemical Name |
N-[2-(3-methylphenyl)pyridin-4-yl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: 50 mg/mL (107.40 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (5.37 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.47 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1479 mL | 10.7395 mL | 21.4790 mL | |
| 5 mM | 0.4296 mL | 2.1479 mL | 4.2958 mL | |
| 10 mM | 0.2148 mL | 1.0740 mL | 2.1479 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
