| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 100mg | |||
| 250mg | |||
| 500mg | |||
| Other Sizes |
| Targets |
YS121 targets microsomal prostaglandin E2 synthase-1 (mPGES-1) and 5-lipoxygenase (5-LOX). mPGES-1 is the terminal enzyme in the prostaglandin E2 (PGE2) biosynthetic pathway, while 5-LOX is the key enzyme in leukotriene (LT) biosynthesis. By inhibiting both enzymes, YS121 blocks the production of both PGE2 and leukotrienes. It also inhibits Cox-1 and Cox-2.
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| ln Vitro |
In vitro, YS121 is a dual inhibitor of mPGES-1 (IC₅₀ = 3.4 μM) and 5-LOX (IC₅₀ = 6.5 μM). It effectively inhibits PGE2 and LT synthesis in both cell-free and intact cell assays. It dose-dependently reduces PGE2 production with an EC₅₀ of 12 μM in IL-1β-stimulated A549 cells.
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| ln Vivo |
In vivo activity data for YS121 are limited in the available literature. As a dual inhibitor of mPGES-1 and 5-LOX, it has potential applications in inflammation research. By blocking both PGE2 and leukotriene synthesis, the compound may have anti-inflammatory effects. Further in vivo studies are needed to evaluate its efficacy and safety.
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| Enzyme Assay |
In vitro enzyme inhibition assays for YS121 are performed using purified mPGES-1 and 5-LOX enzymes. Enzyme activity is measured by quantifying the production of PGE2 (for mPGES-1) or leukotrienes (for 5-LOX) using ELISA or HPLC. The compound is incubated with the enzyme and substrate, and IC₅₀ values (3.4 μM for mPGES-1, 6.5 μM for 5-LOX) are calculated from inhibition curves.
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| Cell Assay |
In vitro cellular assays for YS121 are performed using A549 cells or other inflammatory cell models. Cells are stimulated with IL-1β to induce PGE2 production and then treated with the compound. PGE2 levels in the culture medium are measured by ELISA. The EC₅₀ (12 μM) for reduction of PGE2 production is calculated from concentration-response curves.
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| Animal Protocol |
In vivo animal experiments for YS121 are not extensively documented. As an anti-inflammatory research compound, in vivo studies would typically involve administration to animal models of inflammation. The compound would be administered via appropriate routes, and efficacy would be assessed by measuring inflammatory markers, PGE2 and leukotriene levels in tissues, and disease severity.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of YS121 have been characterized in part. The compound has a molecular weight of 407.96 and molecular formula C₂₀H₂₆ClN₃O₂S. Its chemical name is 2-(4-chloro-6-(2,3-dimethylphenylamino)pyrimidin-2-ylthio)octanoic acid. Further PK details, including half-life, bioavailability, and tissue distribution, are available from the manufacturer's data sheets.
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| Toxicity/Toxicokinetics |
Toxicological data for YS121 are not extensively reported. As a research-use compound, its safety profile has not been formally evaluated in comprehensive preclinical toxicology studies. The compound is intended for research purposes only and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
Octanoic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]- is a medium-chain fatty acid.
YS121 is a dual inhibitor of mPGES-1 (IC₅₀ = 3.4 μM) and 5-LOX (IC₅₀ = 6.5 μM). It is a pirinixic acid-derived synthetic small molecule that effectively inhibits PGE2 and leukotriene synthesis in both cell-free and intact cell assays. It is used in inflammation research to study prostaglandin and leukotriene pathways. This product is for research use only. |
| Molecular Formula |
C20H26CLN3O2S
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|---|---|
| Molecular Weight |
407.96
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| Exact Mass |
407.143
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| CAS # |
916482-17-2
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| PubChem CID |
24816385
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
557.4±50.0 °C at 760 mmHg
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| Flash Point |
290.9±30.1 °C
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| Vapour Pressure |
0.0±1.6 mmHg at 25°C
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| Index of Refraction |
1.601
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| LogP |
7.93
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
27
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| Complexity |
457
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCCCC(C(=O)O)SC1=NC(=CC(=NC2=CC=CC(=C2C)C)N1)Cl
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| InChi Key |
HVJBWTVMRIOTEL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H26ClN3O2S/c1-4-5-6-7-11-16(19(25)26)27-20-23-17(21)12-18(24-20)22-15-10-8-9-13(2)14(15)3/h8-10,12,16H,4-7,11H2,1-3H3,(H,25,26)(H,22,23,24)
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| Chemical Name |
2-[4-chloro-6-(2,3-dimethylanilino)pyrimidin-2-yl]sulfanyloctanoic acid
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| Synonyms |
YS-121; YS 121; YS121
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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 | 2.4512 mL | 12.2561 mL | 24.5122 mL | |
| 5 mM | 0.4902 mL | 2.4512 mL | 4.9024 mL | |
| 10 mM | 0.2451 mL | 1.2256 mL | 2.4512 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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