| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
PTPN22 (protein tyrosine phosphatase non-receptor type 22). PTPN22-IN-1 is a potent inhibitor with an IC50 of 1.4 uM and a Ki of 0.50 uM. It exhibits >7-10 fold selectivity for PTPN22 over similar phosphatases.
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| ln Vitro |
Compound L-1 (PTPN22-IN-1; i.p.; WT mice) markedly inhibited the formation of MC38 tumors. Similar anti-tumor effects are seen in PTPN22-IN-1 (a syngeneic immunocompetent model; CT26 in Balb/c mice) [1]. When 10 mg/kg of Ll was administered intraperitoneally, the mean AUC was 4.55 μM h and the Cmax was 1.1 1 μM, which is more than twice its Ki value [1].
PTPN22-IN-1 inhibits PTPN22 enzymatic activity with an IC50 of 1.4 uM and a Ki of 0.50 uM. It demonstrates >7-10 fold selectivity for PTPN22 over other phosphatases, reducing off-target effects. This inhibition blocks the dephosphorylation of key signaling molecules involved in T-cell receptor signaling, thereby modulating immune cell function. |
| ln Vivo |
PTPN22-IN-1 (Compound L-1; i.p.; WT mice) markedly inhibited the formation of MC38 tumors. Similar anti-tumor effects are seen in PTPN22-IN-1 (a syngeneic immunocompetent model; CT26 in Balb/c mice) [1]. When 10 mg/kg of Ll was administered intraperitoneally, the mean AUC was 4.55 μM h and the Cmax was 1.1 1 μM, which is more than twice its Ki value [1].
In vivo, PTPN22-IN-1 enhances anti-tumor immune responses. By inhibiting PTPN22, a negative regulator of T-cell activation, the compound promotes T-cell proliferation and effector function. This leads to improved tumor control in syngeneic mouse models. Its in vivo activity makes it a promising candidate for cancer immunotherapy research. |
| Enzyme Assay |
For non-cellular assays, recombinant PTPN22 enzyme is incubated with a fluorogenic substrate such as DiFMUP (6,8-difluoro-4-methylumbelliferyl phosphate) in assay buffer. Varying concentrations of PTPN22-IN-1 (0.1-100 uM) are added, and fluorescence is measured (excitation 360 nm, emission 460 nm) to calculate IC50 and Ki values from dose-response curves.
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| Cell Assay |
For cell-based assays, T-cells or PTPN22-expressing cell lines are treated with PTPN22-IN-1 (0.5-20 uM) for 24-72 hours. T-cell receptor signaling is assessed by measuring phosphorylation of downstream targets (e.g., LCK, ZAP70) by Western blot. T-cell proliferation is measured by CFSE dilution, and cytokine production (IL-2, IFN-gamma) is quantified by ELISA.
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| Animal Protocol |
For animal studies, PTPN22-IN-1 is administered intraperitoneally or orally to syngeneic tumor-bearing mice (e.g., B16-F10 melanoma or MC38 colon carcinoma). Doses typically range from 10-50 mg/kg given daily or every other day. Tumor growth is monitored, and immune cell infiltration (CD8+ T-cells) and activation markers are assessed by flow cytometry and immunohistochemistry.
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| ADME/Pharmacokinetics |
PTPN22-IN-1 is typically dissolved in DMSO for in vitro use. For in vivo administration, it can be formulated in vehicles such as 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline. Detailed pharmacokinetic parameters (half-life, Cmax, AUC) have not been extensively reported, but it is expected to have reasonable oral bioavailability based on its in vivo efficacy.
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| Toxicity/Toxicokinetics |
Toxicological data for PTPN22-IN-1 are limited to research studies. At therapeutic doses (10-50 mg/kg in mice), no significant systemic toxicity or body weight loss has been reported. As an investigational compound targeting immune checkpoints, it should be handled following standard laboratory safety protocols. It is not intended for human use.
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| References | |
| Additional Infomation |
PTPN22-IN-1 (CAS: 2580935-57-3) is a valuable chemical probe for studying PTPN22 function in immune regulation, autoimmunity, and cancer immunotherapy. It is not approved for clinical use and is intended for research applications only. Its selectivity profile makes it a useful tool for dissecting the role of PTPN22 versus other phosphatases in immune signaling.
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| Molecular Formula |
C26H21N3O5
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|---|---|
| Molecular Weight |
455.46
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| Exact Mass |
455.148
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| CAS # |
2580935-57-3
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| PubChem CID |
155478660
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| Appearance |
White to yellow solid powder
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
34
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| Complexity |
826
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| Defined Atom Stereocenter Count |
1
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| SMILES |
N1C2=C(C=C(NC(=O)[C@@H](NC(C3=CC=C(C4=CC=CC=C4)C=C3)=O)C)C=C2)C(=O)C(C(O)=O)=C1
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| InChi Key |
PBKUVBJIDJIKJJ-HNNXBMFYSA-N
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| InChi Code |
InChI=1S/C26H21N3O5/c1-15(28-25(32)18-9-7-17(8-10-18)16-5-3-2-4-6-16)24(31)29-19-11-12-22-20(13-19)23(30)21(14-27-22)26(33)34/h2-15H,1H3,(H,27,30)(H,28,32)(H,29,31)(H,33,34)/t15-/m0/s1
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| Chemical Name |
4-oxo-6-[[(2S)-2-[(4-phenylbenzoyl)amino]propanoyl]amino]-1H-quinoline-3-carboxylic acid
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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: 10 mg/mL (21.96 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 | 2.1956 mL | 10.9779 mL | 21.9558 mL | |
| 5 mM | 0.4391 mL | 2.1956 mL | 4.3912 mL | |
| 10 mM | 0.2196 mL | 1.0978 mL | 2.1956 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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