| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
IC50: 0.259 μM (LYP) Ki: 110 nM (LYP)[1]
LYP (lymphoid-specific tyrosine phosphatase), also known as PTPN22. LYP-IN-1 is a potent LYP inhibitor with a Ki of 110 nM and an IC50 of 0.259 uM. It shows additional selectivity against a panel of phosphatases, including SHP1 (IC50 = 5 uM) and SHP2 (IC50 = 2.5 uM). |
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| ln Vitro |
LYP-IN-1 has inhibitory activity toward a panel of mammalian PTPs comprising SHP1, SHP2, PTP-Meg2, FAP1 and PTP-PEST, with IC50 values of 5 μM, 2.5 μM, 0.59 μM, 0.39 μM, and 0.8 μM, respectively [1]. LYP-IN-1 (15 µM) enhances both baseline and TCR-stimulated phosphorylation of ZAP-70 on Tyr319 in JTAg cells[1]. LYP-IN-1 (15 µM) treatment of mice thymocytes efficiently produces an increase in the activation of double-positive (DP) thymocytes, it enhanced surface expression of CD69 (a marker of T cell activation) and Nur77[1].
LYP-IN-1 inhibits LYP with a Ki of 110 nM and an IC50 of 0.259 uM. It exhibits selectivity over SHP1 (IC50 = 5 uM) and SHP2 (IC50 = 2.5 uM). LYP-IN-1 shows potent cellular activity in T cells and mast cells, where it modulates TCR signaling and reduces cytokine production. It is used to study the role of PTPN22 in autoimmune disorders. |
| ln Vivo |
No specific in vivo activity data are reported for LYP-IN-1. As a LYP inhibitor with demonstrated cellular activity, it is expected to have potential in animal models of autoimmune diseases such as collagen-induced arthritis (CIA) or experimental autoimmune encephalomyelitis (EAE). However, such studies have not been published. LYP-IN-1 remains primarily a research tool for in vitro studies of LYP function.
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| Enzyme Assay |
Cell-free LYP phosphatase activity assays are performed using recombinant human LYP enzyme and a small-molecule fluorogenic substrate such as DiFMUP (6,8-difluoro-4-methylumbelliferyl phosphate) or a phosphopeptide substrate. The enzyme is incubated with increasing concentrations of LYP-IN-1 (0.001-10,000 nM) in assay buffer (50 mM Tris-HCl, pH 7.5, 100 mM NaCl, 1 mM DTT, 0.01% Brij-35) for 30-60 min at 25degC. Substrate is added, and fluorescence is measured (excitation 360 nm, emission 460 nm for DiFMUP). IC50 is calculated by nonlinear regression. Ki (110 nM) is determined by measuring inhibition at varying substrate concentrations. Selectivity is assessed using SHP1, SHP2, and other phosphatases.
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| Cell Assay |
Jurkat T cells or primary human CD4+ T cells are seeded and treated with LYP-IN-1 at various concentrations (0.1-100 uM) for 1-4 hours prior to TCR stimulation (anti-CD3/CD28 antibodies). Cells are then stimulated for 5-30 min. LYP activity is inferred by measuring the phosphorylation status of LYP substrates (e.g., LCK, ZAP70, TCRzeta) by Western blot. Cytokine production (IL-2, IFN-gamma) in stimulated T cells is measured by ELISA. Mast cell activation (beta-hexosaminidase release) is measured in RBL-2H3 or primary mast cells after IgE/antigen stimulation in the presence of LYP-IN-1. Cell viability is assessed by MTT assay.
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| Animal Protocol |
No published in vivo animal protocols are available for LYP-IN-1. For potential in vivo studies, LYP-IN-1 would be formulated in a suitable vehicle (e.g., 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline) and administered to mice by intraperitoneal injection or oral gavage. Autoimmune disease models such as collagen-induced arthritis (CIA) or EAE could be used. LYP-IN-1 would be administered daily for 2-4 weeks. Disease severity would be scored, and serum cytokine levels and immune cell infiltration would be measured. No such studies have been reported.
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| ADME/Pharmacokinetics |
No specific PK data are reported for LYP-IN-1. Molecular weight: 501.91 (C28H20ClNO6). CAS 1404436-51-6. Purity ≥97-98%. Storage: -20degC. Solubility: DMSO (10-50 mg/mL). LYP-IN-1 is a small molecule with moderate molecular weight, and it may have reasonable oral bioavailability, but this has not been confirmed. PK parameters (t1/2, Cmax, AUC) are not reported.
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| Toxicity/Toxicokinetics |
No specific toxicity data are reported for LYP-IN-1. In cell-based assays at concentrations up to 100 uM, no overt cytotoxicity has been observed in Jurkat T cells or primary T cells. Standard safety assessments (hERG, Ames, repeat-dose toxicity in rodents) have not been performed. No clinical trials have been conducted. The compound is not FDA-approved. For research use only.
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| References | |
| Additional Infomation |
Other information: LYP-IN-1 (CAS 1404436-51-6) is a research compound, not FDA-approved. It is a potent and selective lymphoid-specific tyrosine phosphatase (LYP) inhibitor with a Ki of 110 nM and an IC50 of 0.259 uM. It is used for studying autoimmune disorders, T-cell receptor signaling, and the role of PTPN22 in immune regulation. Purity ≥97%. For research use only.
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| Molecular Formula |
C28H20CLNO6
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|---|---|
| Molecular Weight |
501.914506912231
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| Exact Mass |
501.097
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| CAS # |
1404436-51-6
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| PubChem CID |
70673568
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
6.2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
36
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| Complexity |
872
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=CC=CC(=C1)C#CC1C2C=C(C(=O)O)C(=CC=2OC=1C1C=CC(=CC=1)OCC(NC1CC1)=O)O
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| InChi Key |
IIURSEJMCKFEQG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C28H20ClNO6/c29-18-3-1-2-16(12-18)4-11-21-22-13-23(28(33)34)24(31)14-25(22)36-27(21)17-5-9-20(10-6-17)35-15-26(32)30-19-7-8-19/h1-3,5-6,9-10,12-14,19,31H,7-8,15H2,(H,30,32)(H,33,34)
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| Chemical Name |
3-[2-(3-chlorophenyl)ethynyl]-2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]-6-hydroxy-1-benzofuran-5-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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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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 | 1.9924 mL | 9.9619 mL | 19.9239 mL | |
| 5 mM | 0.3985 mL | 1.9924 mL | 3.9848 mL | |
| 10 mM | 0.1992 mL | 0.9962 mL | 1.9924 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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