| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
IC50: 1.8 μM (SHP-2), 2.5 μM (PTP1B), 8.4 μM (PTP-ε), 13 μM (PTP Meg-2), 20 μM (PTP-σ), 6.4 μM (PTP-β), and 6.7 μM (PTP-μ)[2]; 5.21 μM (DUSP14)[1]
PTP Inhibitor IV targets multiple protein tyrosine phosphatases (PTPs), including SHP-2, PTP1B, PTP-ε, PTP-Meg-2, PTP-σ, PTP-β, and PTP-µ. It is a reversible, competitive, and active-site directed inhibitor. The compound is an uncharged, 1,4-di-substituted, phenyl-linked bis-trifluoromethylsulfonamido phosphate mimetic. It binds to the active site of PTPs, inhibiting their phosphatase activity. |
|---|---|
| ln Vitro |
PTP Inhibitor IV downregulates the catalytic activity of DUSP14 by binding to the catalytic site [1]. PTP Inhibitor IV (0-100 μM; 3 hours) potently and selectively inhibits DUSP14-mediated JNK dephosphorylation [1].
PTP Inhibitor IV demonstrates potent in vitro activity as a PTP inhibitor. It inhibits SHP-2 with an IC50 of 1.8 µM, PTP1B with an IC50 of 2.5 µM, and other PTPs with IC50s ranging from 6.4 to 20 µM. It also inhibits DUSP14 with an IC50 of 5.21 μM. The compound's ability to inhibit multiple PTPs makes it a valuable tool for studying phosphatase signaling. |
| ln Vivo |
PTP Inhibitor IV has been studied in vivo for its effects on phosphatase signaling pathways. As a potent PTP inhibitor, it is expected to modulate cellular signaling processes involved in various diseases. The compound's ability to modulate PTP activity in vivo is a key measure of its efficacy.
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| Enzyme Assay |
The in vitro enzyme/receptor binding (non-cell-based) assay for PTP Inhibitor IV involves assessing its inhibition of PTP activity. Recombinant PTPs are incubated with the compound and a substrate, and the dephosphorylation of the substrate is measured. IC50 values are determined from dose-response curves.
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| Cell Assay |
Western Blot Analysis[1]
Cell Types: HEK 293 cells Tested Concentrations: 0, 10 μM, 50 μM, or 100 μM Incubation Duration: 3 hrs (hours) Experimental Results: Effectively penetrated the cells and inhibited DUSP14 activity. The in vitro cell-based assay for PTP Inhibitor IV involves treating cells with the compound and measuring its effects on PTP-mediated signaling pathways. The compound's ability to modulate downstream signaling events is assessed. |
| Animal Protocol |
In vivo animal experiments for PTP Inhibitor IV are conducted in models of diseases where PTPs play a role, such as cancer and diabetes.
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| ADME/Pharmacokinetics |
PTP Inhibitor IV has a molecular weight of 608.61 g/mol and a molecular formula of C26H26F6N2O4S2. The purity is typically ≥95%. It is typically used for research purposes only.
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| Toxicity/Toxicokinetics |
As a research compound, its safety profile is evaluated in standard cytotoxicity and acute toxicity assays. The compound is classified for research use only and is not intended for human therapeutic use. Comprehensive toxicological characterization would be required prior to any clinical development.
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| References | |
| Additional Infomation |
PTP Inhibitor IV (CAS 329317-98-8) is a potent, reversible PTP inhibitor. It has a molecular weight of 608.61 and a molecular formula of C26H26F6N2O4S2. It inhibits SHP-2, PTP1B, and other PTPs. It is not approved for clinical use and is available only for research purposes.
|
| Molecular Formula |
C26H26F6N2O4S2
|
|---|---|
| Molecular Weight |
608.62
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| Exact Mass |
608.123
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| CAS # |
329317-98-8
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| PubChem CID |
6420094
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| Appearance |
White to off-white solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
578.0±60.0 °C at 760 mmHg
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| Flash Point |
303.4±32.9 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.560
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| LogP |
9.41
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
12
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
40
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| Complexity |
968
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC(C)(C1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)NS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)NS(=O)(=O)C(F)(F)F
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| InChi Key |
JWNAVYMNAQDLHX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C26H26F6N2O4S2/c1-23(2,19-9-13-21(14-10-19)33-39(35,36)25(27,28)29)17-5-7-18(8-6-17)24(3,4)20-11-15-22(16-12-20)34-40(37,38)26(30,31)32/h5-16,33-34H,1-4H3
|
| Chemical Name |
1,1,1-trifluoro-N-[4-[2-[4-[2-[4-(trifluoromethylsulfonylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]methanesulfonamide
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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: 250 mg/mL (410.77 mM)
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|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.6431 mL | 8.2153 mL | 16.4306 mL | |
| 5 mM | 0.3286 mL | 1.6431 mL | 3.2861 mL | |
| 10 mM | 0.1643 mL | 0.8215 mL | 1.6431 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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