| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
IC50: 8.4 μM (DOCK1); Kd: 7.1 μM (DOCK1 DHR-2 domain)[1]
The primary target of TBOPP is DOCK1, a guanine nucleotide exchange factor (GEF) that activates Rac, a key regulator of cell migration and invasion. TBOPP selectively inhibits DOCK1 without affecting the closely related proteins DOCK2 and DOCK5. It binds to the DHR-2 domain of DOCK1. |
|---|---|
| ln Vitro |
Treatment with TBOPP (12.5 μM; 3 days; 3LL cells) inhibits invasion, macropinocytosis, and survival of DOCK1 under glutamine deprivation conditions without affecting the biological activities of the closely related proteins DOCK2 and DOCK5 [1].
In vitro, TBOPP inhibits DOCK1-mediated Rac activation with an IC50 of 8.4 µM. It suppresses DOCK1-mediated invasion, macropinocytosis, and survival under glutamate-deficient conditions. It has anti-tumor activity in a broad range of tumors. |
| ln Vivo |
In vivo cancer cell metastasis is effectively inhibited by TBOPP (0.67 mg/mouse; given on days 0, 1, 3, and 5; 2 weeks; C57BL/6 mice) treatment, and the number of spleen lymphocytes in TBOPP-treated and untreated mice does not vary[1]. There was also no change in weight.
In vivo, TBOPP treatment has been shown to suppress cancer metastasis and growth in mice. Its efficacy in preclinical models supports its potential as a therapeutic agent for DOCK1-driven cancers. |
| Enzyme Assay |
Non-cellular assays for TBOPP typically involve measuring its binding affinity to the DOCK1 DHR-2 domain using surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC). Its ability to inhibit DOCK1-mediated Rac activation can be assessed using biochemical assays with purified proteins.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: 3LL cells Tested Concentrations: 12.5 µM Incubation Duration: 3 days Experimental Results: Inhibited cell viability. Cellular assays for TBOPP are conducted using cancer cell lines. Cells are treated with the compound, and Rac activation is measured using pull-down assays. Cell migration, invasion, and survival are assessed to evaluate the functional consequences of DOCK1 inhibition. |
| Animal Protocol |
Animal/Disease Models: C57BL/6 mice (6- to 8weeks old) with ex-3LL cells[1]
Doses: 0.67 mg per mouse Route of Administration: Administered on days 0, 1, 3, and 5; for 2 weeks Experimental Results: The lung metastasis was Dramatically suppressed. In vivo animal experiments for TBOPP typically use mouse xenograft or metastasis models. The compound is administered orally or via injection, and tumor growth, metastasis, and survival are assessed. DOCK1 signaling and downstream pathways are analyzed in tumor tissues. |
| ADME/Pharmacokinetics |
Pharmacokinetic properties of TBOPP are not extensively detailed. The compound has a molecular weight of 490.49 g/mol and a formula of C24H21F3N2O4S. It is soluble in DMSO (98 mg/mL). It is typically stored as a powder at -20°C.
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| Toxicity/Toxicokinetics |
Toxicological data for TBOPP are limited, as it is a research compound. It is for research use only and not for human or veterinary use. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
TBOPP is a selective DOCK1 inhibitor and a valuable tool for studying the role of DOCK1 in cell migration, invasion, and cancer metastasis. It is also used as a fluorescent probe and photostabilizer. Its dual function makes it unique for both chemical and biological research.
|
| Molecular Formula |
C24H21F3N2O4S
|
|---|---|
| Molecular Weight |
490.494755506516
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| Exact Mass |
490.117
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| CAS # |
1996629-79-8
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| PubChem CID |
122508151
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| Appearance |
White to off-white solid powder
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| LogP |
3.7
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
34
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| Complexity |
940
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
S(C1C=CC(N(CC(C2C=CC(=CC=2)C2C=CC=C(C(F)(F)F)C=2)=O)C=1)=O)(N1CCCC1)(=O)=O
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| InChi Key |
ZMPDEBWNVHAKBB-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H21F3N2O4S/c25-24(26,27)20-5-3-4-19(14-20)17-6-8-18(9-7-17)22(30)16-28-15-21(10-11-23(28)31)34(32,33)29-12-1-2-13-29/h3-11,14-15H,1-2,12-13,16H2
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| Chemical Name |
1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (203.88 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.24 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.24 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0388 mL | 10.1939 mL | 20.3878 mL | |
| 5 mM | 0.4078 mL | 2.0388 mL | 4.0776 mL | |
| 10 mM | 0.2039 mL | 1.0194 mL | 2.0388 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.
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